N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline

C42H30N2 — CID 121312722

IUPACN-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-31(14-4-1)33-17-11-19-37(29-33)43(38-20-12-18-34(30-38)32-15-5-2-6-16-32)35-25-27-36(28-26-35)44-41-23-9-7-21-39(41)40-22-8-10-24-42(40)44/h1-30H
InChIKeyWXSSLTCIWRWNEG-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.59
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 121312722) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
PubChem CID121312722
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC NameN-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-31(14-4-1)33-17-11-19-37(29-33)43(38-20-12-18-34(30-38)32-15-5-2-6-16-32)35-25-27-36(28-26-35)44-41-23-9-7-21-39(41)40-22-8-10-24-42(40)44/h1-30H
InChIKeyWXSSLTCIWRWNEG-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-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 138746953
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline (CID 121312722) is N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is WXSSLTCIWRWNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-13-31(14-4-1)33-17-11-19-37(29-33)43(38-20-12-18-34(30-38)32-15-5-2-6-16-32)35-25-27-36(28-26-35)44-41-23-9-7-21-39(41)40-22-8-10-24-42(40)44/h1-30H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)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-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 121312722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).