9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile

C37H22N2O — CID 139303898

IUPAC9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C37H22N2O/c38-23-24-15-17-35-32(19-24)30-11-1-3-13-34(30)39(35)29-10-6-9-27(21-29)25-7-5-8-26(20-25)28-16-18-37-33(22-28)31-12-2-4-14-36(31)40-37/h1-22H
InChIKeyVFAQWPBAQPSQFG-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.89
Rot. Bonds3

About 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile

9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 139303898) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
PubChem CID139303898
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1
InChIInChI=1S/C37H22N2O/c38-23-24-15-17-35-32(19-24)30-11-1-3-13-34(30)39(35)29-10-6-9-27(21-29)25-7-5-8-26(20-25)28-16-18-37-33(22-28)31-12-2-4-14-36(31)40-37/h1-22H
InChIKeyVFAQWPBAQPSQFG-UHFFFAOYSA-N
XLogP9.89
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-[3-[3-(2-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(3-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile;9-[3-[3-(4-cyanophenyl)phenyl]-5-dibenzofuran-2-ylphenyl]carbazole-3-carbonitrile
CID 158987615
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile (CID 139303898) is 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c1.
What is the InChIKey of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is VFAQWPBAQPSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c38-23-24-15-17-35-32(19-24)30-11-1-3-13-34(30)39(35)29-10-6-9-27(21-29)25-7-5-8-26(20-25)28-16-18-37-33(22-28)31-12-2-4-14-36(31)40-37/h1-22H.
What are the key properties of 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile?
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 510.60 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139303898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).