9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

C57H40N6 — CID 90211166

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C57H40N6/c1-7-20-41(21-8-1)55-58-56(42-22-9-2-10-23-42)60-57(59-55)43-24-19-33-48(38-43)63-53-36-34-49(61(44-25-11-3-12-26-44)45-27-13-4-14-28-45)39-51(53)52-40-50(35-37-54(52)63)62(46-29-15-5-16-30-46)47-31-17-6-18-32-47/h1-40H
InChIKeyGOGDHFVMCSYNIT-UHFFFAOYSA-N
MW808.99 g/mol
LogP14.91
Rot. Bonds10

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (PubChem CID 90211166) has the molecular formula C57H40N6 and a molecular weight of 808.99 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
PubChem CID90211166
Molecular FormulaC57H40N6
Molecular Weight808.99 g/mol
Exact Mass808.33
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C57H40N6/c1-7-20-41(21-8-1)55-58-56(42-22-9-2-10-23-42)60-57(59-55)43-24-19-33-48(38-43)63-53-36-34-49(61(44-25-11-3-12-26-44)45-27-13-4-14-28-45)39-51(53)52-40-50(35-37-54(52)63)62(46-29-15-5-16-30-46)47-31-17-6-18-32-47/h1-40H
InChIKeyGOGDHFVMCSYNIT-UHFFFAOYSA-N
XLogP14.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.99
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-N,N-diphenylcarbazol-3-amine
CID 90211143
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
9-[4-[4-[3-[4-(N-[9-[3-[4-[4-[3-(N-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(N-phenylanilino)carbazol-3-yl]anilino)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 146175669
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630106
6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 147484515
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-N,N-diphenylaniline
CID 88866654
N-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-[4-(4-trimethylsilylphenyl)phenyl]aniline
CID 90195301
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine (CID 90211166) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
The InChIKey is GOGDHFVMCSYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N6/c1-7-20-41(21-8-1)55-58-56(42-22-9-2-10-23-42)60-57(59-55)43-24-19-33-48(38-43)63-53-36-34-49(61(44-25-11-3-12-26-44)45-27-13-4-14-28-45)39-51(53)52-40-50(35-37-54(52)63)62(46-29-15-5-16-30-46)47-31-17-6-18-32-47/h1-40H.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine has a molecular weight of 808.99 g/mol, XLogP of 14.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine is sourced from PubChem (CID 90211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).