4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile

C34H25NO2 — CID 71131321

IUPAC4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile
SMILESCOc1cc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(C)c2)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C34H25NO2/c1-23-20-29(30-17-19-32(33(21-30)37-2)26-10-8-24(22-35)9-11-26)16-18-31(23)25-12-14-28(15-13-25)34(36)27-6-4-3-5-7-27/h3-21H,1-2H3
InChIKeyZNRBGIRJXHOMJW-UHFFFAOYSA-N
MW479.58 g/mol
LogP8.11
Rot. Bonds6

About 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile

4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile (PubChem CID 71131321) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile
PubChem CID71131321
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile
SMILESCOc1cc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(C)c2)ccc1-c1ccc(C#N)cc1
InChIInChI=1S/C34H25NO2/c1-23-20-29(30-17-19-32(33(21-30)37-2)26-10-8-24(22-35)9-11-26)16-18-31(23)25-12-14-28(15-13-25)34(36)27-6-4-3-5-7-27/h3-21H,1-2H3
InChIKeyZNRBGIRJXHOMJW-UHFFFAOYSA-N
XLogP8.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[4-[4-(4-cyanophenyl)-3-methylphenyl]-2-methylphenyl]benzoyl]phenyl] 2-methylbutanoate
CID 90050184
4-[4-(2-fluorophenyl)-2-methylphenyl]benzonitrile
CID 118264823
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134097756
5-(5-cyano-2-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515777
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
S-methyl 3-methoxy-4-phenylbenzenecarbothioate
CID 19934709
(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile
CID 144925030
[3-(4-methoxy-3-methylphenyl)phenyl]-(3-methoxyphenyl)methanone
CID 56970113
4-(4-hydroxyphenyl)-3-methylbenzonitrile
CID 22274632
2-(4-cyanophenyl)benzoic acid
CID 2757952

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile?
The IUPAC name of 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile (CID 71131321) is 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile?
The canonical SMILES for 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile is COc1cc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)c(C)c2)ccc1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile?
The InChIKey is ZNRBGIRJXHOMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO2/c1-23-20-29(30-17-19-32(33(21-30)37-2)26-10-8-24(22-35)9-11-26)16-18-31(23)25-12-14-28(15-13-25)34(36)27-6-4-3-5-7-27/h3-21H,1-2H3.
What are the key properties of 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile?
4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile has a molecular weight of 479.58 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-benzoylphenyl)-3-methylphenyl]-2-methoxyphenyl]benzonitrile is sourced from PubChem (CID 71131321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).