N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

C57H38N6 — CID 134472395

IUPACN-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N6/c1-5-19-39(20-6-1)55-58-56(40-21-7-2-8-22-40)60-57(59-55)47-29-15-18-32-52(47)61(43-33-35-53-48(37-43)45-27-13-16-30-50(45)62(53)41-23-9-3-10-24-41)44-34-36-54-49(38-44)46-28-14-17-31-51(46)63(54)42-25-11-4-12-26-42/h1-38H
InChIKeyRPCFRMWWJVBZMI-UHFFFAOYSA-N
MW806.97 g/mol
LogP14.54
Rot. Bonds8

About N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (PubChem CID 134472395) has the molecular formula C57H38N6 and a molecular weight of 806.97 g/mol. Its IUPAC name is N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
PubChem CID134472395
Molecular FormulaC57H38N6
Molecular Weight806.97 g/mol
Exact Mass806.32
IUPAC NameN-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C57H38N6/c1-5-19-39(20-6-1)55-58-56(40-21-7-2-8-22-40)60-57(59-55)47-29-15-18-32-52(47)61(43-33-35-53-48(37-43)45-27-13-16-30-50(45)62(53)41-23-9-3-10-24-41)44-34-36-54-49(38-44)46-28-14-17-31-51(46)63(54)42-25-11-4-12-26-42/h1-38H
InChIKeyRPCFRMWWJVBZMI-UHFFFAOYSA-N
XLogP14.54
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832
N,N-diphenyl-2-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-3-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]aniline;N,N-diphenyl-4-[4-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 158484941
9-phenyl-N-(2-phenylphenyl)-N-[4-[3-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]pyrazin-2-yl]phenyl]carbazol-3-amine
CID 58921997
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172501638
N,5,9-triphenyl-N-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 169009800
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-naphthalen-1-yl-N,6-diphenylcarbazol-3-amine
CID 121459359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The IUPAC name of N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (CID 134472395) is N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.
What is the SMILES notation for N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The canonical SMILES for N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The InChIKey is RPCFRMWWJVBZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6/c1-5-19-39(20-6-1)55-58-56(40-21-7-2-8-22-40)60-57(59-55)47-29-15-18-32-52(47)61(43-33-35-53-48(37-43)45-27-13-16-30-50(45)62(53)41-23-9-3-10-24-41)44-34-36-54-49(38-44)46-28-14-17-31-51(46)63(54)42-25-11-4-12-26-42/h1-38H.
What are the key properties of N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine has a molecular weight of 806.97 g/mol, XLogP of 14.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 134472395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).