| CAS Number | 1397202-77-5 |
| Catalog Number | AG00IMFP(AGN-PC-0WQULS) |
| Chemical Name | 3-(Diphenylamino)dibenzo[g,p]chrysene |
| IUPAC Name | N,N-diphenylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaen-5-amine |
| InChI | InChI=1S/C38H25N/c1-3-13-26(14-4-1)39(27-15-5-2-6-16-27)28-23-24-35-36(25-28)31-19-9-12-22-34(31)37-32-20-10-7-17-29(32)30-18-8-11-21-33(30)38(35)37/h1-25H |
| InChI Key | UNHRFJSSMJBBLW-UHFFFAOYSA-N |
| MDL Number | MFCD11042679 |
| Molecular Formula | C38H25N |
| Molecular Weight | 495.6118 |
| SMILES | C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=C(C3=C(C=CC=C3)C3=C1C=CC=C3)C1=C2C=CC=C1 |
| Synonyms | 3-(Diphenylamino)dibenzo[g,p]chrysene,
1397202-77-5,
3-DPADBC,
SCHEMBL9889160,
MFCD11042679,
AKOS025244090,
D3739,
|
| Complexity | 790 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 495.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 495.625g/mol |
| Monoisotopic Mass | 495.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11.4 |
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Certificate of Analysis
Lot Number