9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile

C37H21N3O — CID 134337735

IUPAC9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H21N3O/c38-22-23-19-20-33-29(21-23)26-11-3-6-16-32(26)40(33)35-18-8-13-28-27-12-7-17-34(36(27)41-37(28)35)39-30-14-4-1-9-24(30)25-10-2-5-15-31(25)39/h1-21H
InChIKeyFVBVFJVQWRYUOO-UHFFFAOYSA-N
MW523.60 g/mol
LogP9.65
Rot. Bonds2

About 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile

9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile (PubChem CID 134337735) has the molecular formula C37H21N3O and a molecular weight of 523.60 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
PubChem CID134337735
Molecular FormulaC37H21N3O
Molecular Weight523.60 g/mol
Exact Mass523.17
IUPAC Name9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C37H21N3O/c38-22-23-19-20-33-29(21-23)26-11-3-6-16-32(26)40(33)35-18-8-13-28-27-12-7-17-34(36(27)41-37(28)35)39-30-14-4-1-9-24(30)25-10-2-5-15-31(25)39/h1-21H
InChIKeyFVBVFJVQWRYUOO-UHFFFAOYSA-N
XLogP9.65
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(3-ethynylcarbazol-9-yl)dibenzofuran-1-yl]carbazole-3-carbonitrile
CID 126754808
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-(6-cyano-8-dibenzofuran-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149026913
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147906665
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 118650226
9-(9-dibenzofuran-2-yl-6-phenyldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 149059833
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 147349483
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501143
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile (CID 134337735) is 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The InChIKey is FVBVFJVQWRYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O/c38-22-23-19-20-33-29(21-23)26-11-3-6-16-32(26)40(33)35-18-8-13-28-27-12-7-17-34(36(27)41-37(28)35)39-30-14-4-1-9-24(30)25-10-2-5-15-31(25)39/h1-21H.
What are the key properties of 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile has a molecular weight of 523.60 g/mol, XLogP of 9.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 134337735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).