9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile

C39H19N5O — CID 122501143

IUPAC9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc32)c2oc3ccccc3c2c1
InChIInChI=1S/C39H19N5O/c40-20-23-9-12-34-29(15-23)30-16-24(21-41)10-13-35(30)43(34)26-11-14-36-31(19-26)27-5-1-3-7-33(27)44(36)37-18-25(22-42)17-32-28-6-2-4-8-38(28)45-39(32)37/h1-19H
InChIKeyXOFQYIVTFUROOC-UHFFFAOYSA-N
MW573.62 g/mol
LogP9.40
Rot. Bonds2

About 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile

9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile (PubChem CID 122501143) has the molecular formula C39H19N5O and a molecular weight of 573.62 g/mol. Its IUPAC name is 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
PubChem CID122501143
Molecular FormulaC39H19N5O
Molecular Weight573.62 g/mol
Exact Mass573.16
IUPAC Name9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc32)c2oc3ccccc3c2c1
InChIInChI=1S/C39H19N5O/c40-20-23-9-12-34-29(15-23)30-16-24(21-41)10-13-35(30)43(34)26-11-14-36-31(19-26)27-5-1-3-7-33(27)44(36)37-18-25(22-42)17-32-28-6-2-4-8-38(28)45-39(32)37/h1-19H
InChIKeyXOFQYIVTFUROOC-UHFFFAOYSA-N
XLogP9.40
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.62
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520
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
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
9-(6-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 122501116
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[8-(2-methylcarbazol-9-yl)dibenzofuran-4-yl]carbazole-2-carbonitrile
CID 126754672
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;1-methyl-2-prop-1-en-2-ylsulfanylbenzene
CID 145179110

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile (CID 122501143) is 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccc(C#N)cc5c5cc(C#N)ccc54)ccc32)c2oc3ccccc3c2c1.
What is the InChIKey of 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is XOFQYIVTFUROOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H19N5O/c40-20-23-9-12-34-29(15-23)30-16-24(21-41)10-13-35(30)43(34)26-11-14-36-31(19-26)27-5-1-3-7-33(27)44(36)37-18-25(22-42)17-32-28-6-2-4-8-38(28)45-39(32)37/h1-19H.
What are the key properties of 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile has a molecular weight of 573.62 g/mol, XLogP of 9.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2-cyanodibenzofuran-4-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 122501143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).