AG00HW6D

14172-92-0 | Nickel,[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kN21,kN22,kN23,kN24]-,(SP-4-1)-

AG00HW6D

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CAS Number	14172-92-0
Catalog Number	AG00HW6D(AGN-PC-0PR8NK)
Chemical Name	Nickel,[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kN21,kN22,kN23,kN24]-,(SP-4-1)-
IUPAC Name	nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
InChI	InChI=1S/C44H28N4.Ni/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2
InChI Key	CXIRWLOIAQYBLZ-UHFFFAOYSA-N
MDL Number	MFCD00010727
Molecular Formula	C44H28N4Ni
Molecular Weight	671.4133
SMILES	[Ni+2]123[n-]4c5C(=c6n3c(C(=c3[n-]1c(=C(c1n2c(=C(c4cc5)c2ccccc2)cc1)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1
Synonyms	nickel tetraphenylporphyrin, 14172-92-0, 5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II), ni(tpp), Nickel(II) meso -tetraphenylporphine, STK567921, AKOS005493546, AS-74085, nickel(II) 5-10-15-20-(tetraphenyl)porphyrin, [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~2~N~21~,N~23~]nickel, 5,10,15,20-Tetraphenyl-21H,23H-porphine nickel(II), dye content >=95 %, (1Z,6Z,12Z,17Z)-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3),?.1(1)(3),(1)?.0?,(2)(3).0(1)?,(2)(1)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene, Nickel,[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kN21,kN22,kN23,kN24]-,(SP-4-1)-, Nickel tetraphenylporphyrin, C44H28N4Ni, Nickel meso-tetraphenylporphine, C44-H28-N4-Ni, BAS 00337943, CID3748741, Nickel, [5,10,15,20-tetraphenylporphinato(2-)]-, (17Z)-2,7,12,17-tetraphenyl-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1^{3,6}.1^{13,16}.0^{8,23}.0^{18,21}]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene, Nickel, [5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-4-1)-,

Complexity	1330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	670.166739g/mol
Formal Charge	0
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	671.4g/mol
Monoisotopic Mass	670.166739g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.7Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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