AG002J9C

207739-72-8 | 9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)-

AG002J9C

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CAS Number	207739-72-8
Catalog Number	AG002J9C(AGN-PC-0QWLSS)
Chemical Name	9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)-
IUPAC Name	2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
InChI	InChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
InChI Key	XDXWNHPWWKGTKO-UHFFFAOYSA-N
MDL Number	MFCD12022511
Molecular Formula	C81H68N4O8
Molecular Weight	1225.4286
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc2c(c1)C1(c3c2ccc(c3)N(c2ccc(cc2)OC)c2ccc(cc2)OC)c2cc(ccc2c2c1cc(cc2)N(c1ccc(cc1)OC)c1ccc(cc1)OC)N(c1ccc(cc1)OC)c1ccc(cc1)OC
Synonyms	207739-72-8, Spiro-OMeTAD, N2,N2,N2',N2',N7,N7,N7',N7'-Octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetraamine, 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene, Spiro-MeOTAD, 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene, 2,2',7,7'-Tetrakis(N,N-di-pmethoxyphenylamino)-9,9'-spirobifluorene;N2,N2,N2',N2',N7,N7,N7',N7'-Octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetraamine, Spiro OMeTAD, SCHEMBL233470, CTK8E8892, Spiro-MeOTAD, 99% (HPLC), C81H68N4O8, KS-00000PI2, MFCD12022511, Spiro-OMeTAD >99.5% (HPLC), AKOS022185114, AK109583, AS-19565, BC289094, SC-67622, AB0035963, RT-006670, CS-0061972, FT-0675080, ST24048742, Y0468, J-013612, 2,2',7,7'-Tetrakis[N,N-di(4-methoxyphenyl)amino]-9, 2,2',7,7'-Tetrakis(N,N -di-p -methoxyphenylamino)-9,9'-spirobifluorene, 2,2\',7,7\'-tetrakis(N,N-di-p-methoxyphenyl-amine)-9,9\'-spirobifluorene, 2,2 inverted exclamation mark ,7,7 inverted exclamation mark -Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9 inverted exclamation mark -spirobifluorene, 9,9'-Spirobi[9H-fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)-, N,N,N',N',N'',N'',N''',N'''-Octakis(4-methoxyphenyl)-9,9'-spirobi[9H-fluorene]-2,2',7,7'-tetramine, N,N,N',N',N'',N'',N''',N'''-Octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine, N2,N2,N2',N2',N7,N7,N7',N7'-Octakis(4-methoxyphenyl)-9,9'-spirobi[9H-fluorene]-2,2',7,7'-tetramine, ?Spiro-OMeTAD, 2,2',7,7'-Tetrakis (N,N-di-p-methoxy-phenylamine)-9,9'-spirobifluorene, 2,2',7,7'-tetrakis(n,n-di-p-methoxyphenylamine)-9,9'-spirobifluorene, 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene, 98% - 1G 1g, 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene, 99.5% - 1G 1g,

Complexity	1830
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	1224.504g/mol
Formal Charge	0
Heavy Atom Count	93
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	1225.455g/mol
Monoisotopic Mass	1224.504g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	86.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	19.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number