2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile

C29H20N2 — CID 155133342

IUPAC2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1ccccc1)c1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C29H20N2/c30-21-25-15-9-10-18-28(25)31(26-16-5-2-6-17-26)29-20-24-14-8-7-13-23(24)19-27(29)22-11-3-1-4-12-22/h1-20H
InChIKeyKDIJOWDSQWTLNW-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.85
Rot. Bonds4

About 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile

2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile (PubChem CID 155133342) has the molecular formula C29H20N2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile.

Molecular Properties

Compound Name2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile
PubChem CID155133342
Molecular FormulaC29H20N2
Molecular Weight396.49 g/mol
Exact Mass396.16
IUPAC Name2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile
SMILESN#Cc1ccccc1N(c1ccccc1)c1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C29H20N2/c30-21-25-15-9-10-18-28(25)31(26-16-5-2-6-17-26)29-20-24-14-8-7-13-23(24)19-27(29)22-11-3-1-4-12-22/h1-20H
InChIKeyKDIJOWDSQWTLNW-UHFFFAOYSA-N
XLogP7.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(N-phenylanilino)naphthalen-2-yl]benzonitrile
CID 155133337
N-phenyl-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-4-amine
CID 155133247
2-(N-(4-fluoranthen-3-ylphenyl)anilino)benzonitrile
CID 118410708
2-[4-(N-phenylanilino)phenyl]benzonitrile
CID 53473408
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
2-(N-[23-(N-(2-cyanophenyl)anilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]anilino)benzonitrile
CID 155360200
2-(N-[3-(N-[2-cyano-5-(N-phenylanilino)phenyl]anilino)phenyl]anilino)-4-(N-phenylanilino)benzonitrile
CID 157175807
1-N,3-N-dinaphthalen-1-yl-1-N,3-N,4,6-tetraphenylbenzene-1,3-diamine;4,6-diphenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine;3-N-naphthalen-2-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine
CID 159990110
N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine
CID 22392519
2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)benzonitrile
CID 137494424
4,6-bis(N-phenylanilino)benzene-1,3-dicarbonitrile
CID 156903762
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile?
The IUPAC name of 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile (CID 155133342) is 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile.
What is the SMILES notation for 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile?
The canonical SMILES for 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile is N#Cc1ccccc1N(c1ccccc1)c1cc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile?
The InChIKey is KDIJOWDSQWTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2/c30-21-25-15-9-10-18-28(25)31(26-16-5-2-6-17-26)29-20-24-14-8-7-13-23(24)19-27(29)22-11-3-1-4-12-22/h1-20H.
What are the key properties of 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile?
2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile has a molecular weight of 396.49 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-phenylnaphthalen-2-yl)anilino)benzonitrile is sourced from PubChem (CID 155133342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).