2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

C43H29N3 — CID 146647280

IUPAC2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(N4C(c5ccccc5)=NC4c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C43H29N3/c44-29-35-17-7-8-22-37(35)32-18-11-19-33(27-32)38-25-26-39(41-24-10-9-23-40(38)41)34-20-12-21-36(28-34)46-42(30-13-3-1-4-14-30)45-43(46)31-15-5-2-6-16-31/h1-28,42H
InChIKeyDZEUMKCORDONKP-UHFFFAOYSA-N
MW587.73 g/mol
LogP10.68
Rot. Bonds6

About 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile

2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (PubChem CID 146647280) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
PubChem CID146647280
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(N4C(c5ccccc5)=NC4c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C43H29N3/c44-29-35-17-7-8-22-37(35)32-18-11-19-33(27-32)38-25-26-39(41-24-10-9-23-40(38)41)34-20-12-21-36(28-34)46-42(30-13-3-1-4-14-30)45-43(46)31-15-5-2-6-16-31/h1-28,42H
InChIKeyDZEUMKCORDONKP-UHFFFAOYSA-N
XLogP10.68
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 146647308
2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
CID 122430955
2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 170215173
2-[3,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170215168
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170215378
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
CID 130352968
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 165099707
dimethyl 3-[3-(2-cyanophenyl)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388401

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile (CID 146647280) is 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2ccc(-c3cccc(N4C(c5ccccc5)=NC4c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?
The InChIKey is DZEUMKCORDONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c44-29-35-17-7-8-22-37(35)32-18-11-19-33(27-32)38-25-26-39(41-24-10-9-23-40(38)41)34-20-12-21-36(28-34)46-42(30-13-3-1-4-14-30)45-43(46)31-15-5-2-6-16-31/h1-28,42H.
What are the key properties of 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile?
2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile has a molecular weight of 587.73 g/mol, XLogP of 10.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(2,4-diphenyl-2H-1,3-diazet-1-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 146647280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).