4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile

C36H23NO3 — CID 10391863

IUPAC4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
SMILESCOc1ccc(-c2oc3cc4oc(-c5ccc(C#N)cc5)c(-c5ccccc5)c4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C36H23NO3/c1-38-28-18-16-27(17-19-28)36-34(25-10-6-3-7-11-25)30-20-29-31(21-32(30)40-36)39-35(26-14-12-23(22-37)13-15-26)33(29)24-8-4-2-5-9-24/h2-21H,1H3
InChIKeyQKSLNCZFNHJLKN-UHFFFAOYSA-N
MW517.58 g/mol
LogP9.73
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile

4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile (PubChem CID 10391863) has the molecular formula C36H23NO3 and a molecular weight of 517.58 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
PubChem CID10391863
Molecular FormulaC36H23NO3
Molecular Weight517.58 g/mol
Exact Mass517.17
IUPAC Name4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
SMILESCOc1ccc(-c2oc3cc4oc(-c5ccc(C#N)cc5)c(-c5ccccc5)c4cc3c2-c2ccccc2)cc1
InChIInChI=1S/C36H23NO3/c1-38-28-18-16-27(17-19-28)36-34(25-10-6-3-7-11-25)30-20-29-31(21-32(30)40-36)39-35(26-14-12-23(22-37)13-15-26)33(29)24-8-4-2-5-9-24/h2-21H,1H3
InChIKeyQKSLNCZFNHJLKN-UHFFFAOYSA-N
XLogP9.73
TPSA59.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
4-[3-[2-[2-(4-cyanophenyl)-6-methoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-6-methoxy-1-benzofuran-2-yl]benzonitrile
CID 89484085
4-[6-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carbonyl]benzonitrile
CID 5311257
4-methoxy(13C)benzonitrile
CID 175991125
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
CID 11428312
3-[5-(4-methoxyphenyl)-4-methyl-2-phenylfuro[2,3-d]pyrimidin-6-yl]benzonitrile
CID 102155313
4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzonitrile
CID 86304729
2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134911345
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
4-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]morpholine
CID 25011565
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile?
The IUPAC name of 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile (CID 10391863) is 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile is COc1ccc(-c2oc3cc4oc(-c5ccc(C#N)cc5)c(-c5ccccc5)c4cc3c2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile?
The InChIKey is QKSLNCZFNHJLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO3/c1-38-28-18-16-27(17-19-28)36-34(25-10-6-3-7-11-25)30-20-29-31(21-32(30)40-36)39-35(26-14-12-23(22-37)13-15-26)33(29)24-8-4-2-5-9-24/h2-21H,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile?
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile has a molecular weight of 517.58 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile is sourced from PubChem (CID 10391863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).