N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline

C42H30N2 — CID 142704370

IUPACN,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H30N2/c1-5-15-31(16-6-1)38-29-32(25-27-41(38)43(34-17-7-2-8-18-34)35-19-9-3-10-20-35)33-26-28-42-39(30-33)37-23-13-14-24-40(37)44(42)36-21-11-4-12-22-36/h1-30H
InChIKeyRQAOOFJSMNKHJC-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.59
Rot. Bonds6

About N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline

N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline (PubChem CID 142704370) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline.

Molecular Properties

Compound NameN,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
PubChem CID142704370
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC NameN,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H30N2/c1-5-15-31(16-6-1)38-29-32(25-27-41(38)43(34-17-7-2-8-18-34)35-19-9-3-10-20-35)33-26-28-42-39(30-33)37-23-13-14-24-40(37)44(42)36-21-11-4-12-22-36/h1-30H
InChIKeyRQAOOFJSMNKHJC-UHFFFAOYSA-N
XLogP11.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylnaphthalen-1-yl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175584
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylcarbazol-3-yl)phenyl]pyrene-1,6-diamine
CID 89491387
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168790601

Frequently Asked Questions

What is the IUPAC name of N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline?
The IUPAC name of N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline (CID 142704370) is N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline.
What is the SMILES notation for N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline?
The canonical SMILES for N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline?
The InChIKey is RQAOOFJSMNKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-5-15-31(16-6-1)38-29-32(25-27-41(38)43(34-17-7-2-8-18-34)35-19-9-3-10-20-35)33-26-28-42-39(30-33)37-23-13-14-24-40(37)44(42)36-21-11-4-12-22-36/h1-30H.
What are the key properties of N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline?
N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline has a molecular weight of 562.72 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline is sourced from PubChem (CID 142704370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).