4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile

C35H26N2 — CID 163527520

IUPAC4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC(c2cccc3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)=CC1
InChIInChI=1S/C35H26N2/c36-25-26-17-19-27(20-18-26)33-15-7-9-29-10-8-16-34(35(29)33)28-21-23-32(24-22-28)37(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-17,19-24,26H,18H2
InChIKeyDQAOMWXSKOTLLY-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.46
Rot. Bonds5

About 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile

4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 163527520) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile
PubChem CID163527520
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile
SMILESN#CC1C=CC(c2cccc3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)=CC1
InChIInChI=1S/C35H26N2/c36-25-26-17-19-27(20-18-26)33-15-7-9-29-10-8-16-34(35(29)33)28-21-23-32(24-22-28)37(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-17,19-24,26H,18H2
InChIKeyDQAOMWXSKOTLLY-UHFFFAOYSA-N
XLogP9.46
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
3-[2-[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]phenyl]-4-[2-[4-(N-phenylanilino)phenyl]phenyl]benzonitrile
CID 122431693
N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
CID 121286068
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
N-(4-chrysen-4-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 170136400
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile (CID 163527520) is 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile is N#CC1C=CC(c2cccc3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c23)=CC1.
What is the InChIKey of 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is DQAOMWXSKOTLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c36-25-26-17-19-27(20-18-26)33-15-7-9-29-10-8-16-34(35(29)33)28-21-23-32(24-22-28)37(30-11-3-1-4-12-30)31-13-5-2-6-14-31/h1-17,19-24,26H,18H2.
What are the key properties of 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile?
4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 474.61 g/mol, XLogP of 9.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(N-phenylanilino)phenyl]naphthalen-1-yl]cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 163527520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).