2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile

C23H15NO — CID 174200069

IUPAC2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile
SMILESC=c1oc2c(-c3ccc(-c4ccccc4)cc3)c(C#N)ccc2c1=C
InChIInChI=1S/C23H15NO/c1-15-16(2)25-23-21(15)13-12-20(14-24)22(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,1-2H2
InChIKeyIXUHHHGWJBQLPN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.46
Rot. Bonds2

About 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile

2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile (PubChem CID 174200069) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile
PubChem CID174200069
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile
SMILESC=c1oc2c(-c3ccc(-c4ccccc4)cc3)c(C#N)ccc2c1=C
InChIInChI=1S/C23H15NO/c1-15-16(2)25-23-21(15)13-12-20(14-24)22(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,1-2H2
InChIKeyIXUHHHGWJBQLPN-UHFFFAOYSA-N
XLogP4.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
9-methyl-8-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 164849771
7-methyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 164849329
6-(1,5-dimethylpyridin-1-ium-2-yl)-7-methyl-4-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 164850012
6-[3,6-dideuterio-5-fluoro-1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-7-methyl-4-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 169283066
9-tert-butyl-6-[4-(4-tert-butylphenyl)-2-pyridinyl]-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 176728745
7-methyl-4-phenyl-6-(1,3,4-trimethylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 162505753
9-(5-fluoro-1-methylpyridin-1-ium-2-yl)-8-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 169282714
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(4-phenylphenyl)-9-trimethylgermyldibenzofuran-3-carbonitrile
CID 164849540
6-(4-fluoro-1-methyl-5-trimethylgermylpyridin-1-ium-2-yl)-7-methyl-4-(4-phenylphenyl)dibenzofuran-3-carbonitrile
CID 169282789
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
4-hydroxy-2,3-diphenylbenzonitrile
CID 162768355

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile?
The IUPAC name of 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile (CID 174200069) is 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile?
The canonical SMILES for 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile is C=c1oc2c(-c3ccc(-c4ccccc4)cc3)c(C#N)ccc2c1=C.
What is the InChIKey of 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile?
The InChIKey is IXUHHHGWJBQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c1-15-16(2)25-23-21(15)13-12-20(14-24)22(23)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-13H,1-2H2.
What are the key properties of 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile?
2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-7-(4-phenylphenyl)-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 174200069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).