4-(naphthalen-2-ylamino)-3-phenylbenzonitrile

C23H16N2 — CID 156578443

IUPAC4-(naphthalen-2-ylamino)-3-phenylbenzonitrile
SMILESN#Cc1ccc(Nc2ccc3ccccc3c2)c(-c2ccccc2)c1
InChIInChI=1S/C23H16N2/c24-16-17-10-13-23(22(14-17)19-7-2-1-3-8-19)25-21-12-11-18-6-4-5-9-20(18)15-21/h1-15,25H
InChIKeyPKZFFKLWCNFEAK-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.12
Rot. Bonds3

About 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile

4-(naphthalen-2-ylamino)-3-phenylbenzonitrile (PubChem CID 156578443) has the molecular formula C23H16N2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile.

Molecular Properties

Compound Name4-(naphthalen-2-ylamino)-3-phenylbenzonitrile
PubChem CID156578443
Molecular FormulaC23H16N2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Name4-(naphthalen-2-ylamino)-3-phenylbenzonitrile
SMILESN#Cc1ccc(Nc2ccc3ccccc3c2)c(-c2ccccc2)c1
InChIInChI=1S/C23H16N2/c24-16-17-10-13-23(22(14-17)19-7-2-1-3-8-19)25-21-12-11-18-6-4-5-9-20(18)15-21/h1-15,25H
InChIKeyPKZFFKLWCNFEAK-UHFFFAOYSA-N
XLogP6.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-phenyl-4-[4-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118682618
4-[4-[2-[3-(3-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 118675019
3-[4-(9H-carbazol-3-yl)-2-phenylanilino]benzonitrile
CID 129238384
3-amino-4-[3-(10-naphthalen-2-ylanthracen-9-yl)anilino]benzonitrile;1-methyl-3-phenylbenzene
CID 143548316
4-fluoro-3-phenylbenzonitrile
CID 46314741
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
1-N,4-N-bis(4-bromophenyl)-2-phenylbenzene-1,4-diamine
CID 141276562
N-naphthalen-2-yl-3-(4-phenylphenyl)naphthalen-1-amine
CID 171456448
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748
4-N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-1-N-naphthalen-2-yl-4-N,2-diphenylbenzene-1,4-diamine
CID 169063238
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile?
The IUPAC name of 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile (CID 156578443) is 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile.
What is the SMILES notation for 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile?
The canonical SMILES for 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile is N#Cc1ccc(Nc2ccc3ccccc3c2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile?
The InChIKey is PKZFFKLWCNFEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2/c24-16-17-10-13-23(22(14-17)19-7-2-1-3-8-19)25-21-12-11-18-6-4-5-9-20(18)15-21/h1-15,25H.
What are the key properties of 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile?
4-(naphthalen-2-ylamino)-3-phenylbenzonitrile has a molecular weight of 320.40 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylamino)-3-phenylbenzonitrile is sourced from PubChem (CID 156578443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).