3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile

C31H21N3 — CID 129238384

IUPAC3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2-c2ccccc2)c1
InChIInChI=1S/C31H21N3/c32-20-21-7-6-10-25(17-21)33-30-15-13-23(18-27(30)22-8-2-1-3-9-22)24-14-16-31-28(19-24)26-11-4-5-12-29(26)34-31/h1-19,33-34H
InChIKeyIVAKSTPCBTUSFP-UHFFFAOYSA-N
MW435.53 g/mol
LogP8.27
Rot. Bonds4

About 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile

3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile (PubChem CID 129238384) has the molecular formula C31H21N3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile.

Molecular Properties

Compound Name3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
PubChem CID129238384
Molecular FormulaC31H21N3
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
SMILESN#Cc1cccc(Nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2-c2ccccc2)c1
InChIInChI=1S/C31H21N3/c32-20-21-7-6-10-25(17-21)33-30-15-13-23(18-27(30)22-8-2-1-3-9-22)24-14-16-31-28(19-24)26-11-4-5-12-29(26)34-31/h1-19,33-34H
InChIKeyIVAKSTPCBTUSFP-UHFFFAOYSA-N
XLogP8.27
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9H-carbazol-3-yl)-N-phenyl-2-[4-(3-phenylphenyl)phenyl]aniline
CID 121262045
4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118682618
6-[3-(4-phenylphenyl)phenyl]-9H-carbazole-3-carbonitrile
CID 170260915
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
9H-carbazole-3-carbonitrile
CID 21107343
9H-carbazole-3-carbonitrile;hydrochloride
CID 153357556
N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine
CID 121343805
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
4-(naphthalen-2-ylamino)-3-phenylbenzonitrile
CID 156578443
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
4-[5-[3-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-7H-indolo[2,3-b]carbazol-2-yl]-N,2-diphenylaniline
CID 121344049
N-[2-[5-(9H-carbazol-3-yl)-2-propan-2-ylphenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 166967012

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile?
The IUPAC name of 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile (CID 129238384) is 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile.
What is the SMILES notation for 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile?
The canonical SMILES for 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile is N#Cc1cccc(Nc2ccc(-c3ccc4[nH]c5ccccc5c4c3)cc2-c2ccccc2)c1.
What is the InChIKey of 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile?
The InChIKey is IVAKSTPCBTUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3/c32-20-21-7-6-10-25(17-21)33-30-15-13-23(18-27(30)22-8-2-1-3-9-22)24-14-16-31-28(19-24)26-11-4-5-12-29(26)34-31/h1-19,33-34H.
What are the key properties of 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile?
3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile has a molecular weight of 435.53 g/mol, XLogP of 8.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile is sourced from PubChem (CID 129238384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).