2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile

C37H20N4O — CID 155357773

IUPAC2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C37H20N4O/c38-21-25-6-5-7-26(22-39)37(25)24-12-15-34-30(19-24)29-18-23(32-9-3-4-17-40-32)11-14-33(29)41(34)27-13-16-36-31(20-27)28-8-1-2-10-35(28)42-36/h1-20H
InChIKeyGRPACZDLBIMOPS-UHFFFAOYSA-N
MW536.59 g/mol
LogP9.16
Rot. Bonds3

About 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile

2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile (PubChem CID 155357773) has the molecular formula C37H20N4O and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
PubChem CID155357773
Molecular FormulaC37H20N4O
Molecular Weight536.59 g/mol
Exact Mass536.16
IUPAC Name2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C37H20N4O/c38-21-25-6-5-7-26(22-39)37(25)24-12-15-34-30(19-24)29-18-23(32-9-3-4-17-40-32)11-14-33(29)41(34)27-13-16-36-31(20-27)28-8-1-2-10-35(28)42-36/h1-20H
InChIKeyGRPACZDLBIMOPS-UHFFFAOYSA-N
XLogP9.16
TPSA78.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-cyano-6-isocyanophenyl)-9-dibenzofuran-2-ylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645790
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
2-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]benzonitrile
CID 122552677
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
2-dibenzofuran-2-yl-3-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122575891
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 159338990
2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496742
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile (CID 155357773) is 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile?
The InChIKey is GRPACZDLBIMOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N4O/c38-21-25-6-5-7-26(22-39)37(25)24-12-15-34-30(19-24)29-18-23(32-9-3-4-17-40-32)11-14-33(29)41(34)27-13-16-36-31(20-27)28-8-1-2-10-35(28)42-36/h1-20H.
What are the key properties of 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile?
2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile has a molecular weight of 536.59 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).