7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile

C38H22N2O — CID 176994445

IUPAC7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)oc3cc(C#N)ccc34)c2)cc1
InChIInChI=1S/C38H22N2O/c39-23-25-6-9-29(10-7-25)32-19-33(30-13-11-28(12-14-30)27-4-2-1-3-5-27)21-34(20-32)31-15-17-36-35-16-8-26(24-40)18-37(35)41-38(36)22-31/h1-22H
InChIKeyBZCDRWHISBQUFA-UHFFFAOYSA-N
MW522.61 g/mol
LogP10.00
Rot. Bonds4

About 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile

7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile (PubChem CID 176994445) has the molecular formula C38H22N2O and a molecular weight of 522.61 g/mol. Its IUPAC name is 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
PubChem CID176994445
Molecular FormulaC38H22N2O
Molecular Weight522.61 g/mol
Exact Mass522.17
IUPAC Name7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)oc3cc(C#N)ccc34)c2)cc1
InChIInChI=1S/C38H22N2O/c39-23-25-6-9-29(10-7-25)32-19-33(30-13-11-28(12-14-30)27-4-2-1-3-5-27)21-34(20-32)31-15-17-36-35-16-8-26(24-40)18-37(35)41-38(36)22-31/h1-22H
InChIKeyBZCDRWHISBQUFA-UHFFFAOYSA-N
XLogP10.00
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The IUPAC name of 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile (CID 176994445) is 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile.
What is the SMILES notation for 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The canonical SMILES for 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile is N#Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc4c(c3)oc3cc(C#N)ccc34)c2)cc1.
What is the InChIKey of 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The InChIKey is BZCDRWHISBQUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O/c39-23-25-6-9-29(10-7-25)32-19-33(30-13-11-28(12-14-30)27-4-2-1-3-5-27)21-34(20-32)31-15-17-36-35-16-8-26(24-40)18-37(35)41-38(36)22-31/h1-22H.
What are the key properties of 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile?
7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile has a molecular weight of 522.61 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile is sourced from PubChem (CID 176994445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).