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

C39H19N5O — CID 122501116

IUPAC9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C39H19N5O/c40-20-23-8-12-35-30(16-23)31-17-24(21-41)9-13-36(31)44(35)26-10-14-37-32(18-26)28-5-1-2-7-34(28)43(37)27-11-15-38-33(19-27)29-6-3-4-25(22-42)39(29)45-38/h1-19H
InChIKeyIUXXXTMZPXBLGD-UHFFFAOYSA-N
MW573.62 g/mol
LogP9.40
Rot. Bonds2

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

9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile (PubChem CID 122501116) has the molecular formula C39H19N5O and a molecular weight of 573.62 g/mol. Its IUPAC name is 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
PubChem CID122501116
Molecular FormulaC39H19N5O
Molecular Weight573.62 g/mol
Exact Mass573.16
IUPAC Name9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C39H19N5O/c40-20-23-8-12-35-30(16-23)31-17-24(21-41)9-13-36(31)44(35)26-10-14-37-32(18-26)28-5-1-2-7-34(28)43(37)27-11-15-38-33(19-27)29-6-3-4-25(22-42)39(29)45-38/h1-19H
InChIKeyIUXXXTMZPXBLGD-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-cyanodibenzofuran-2-yl)carbazole-3-carbonitrile
CID 122501059
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-4-carbonitrile
CID 122501072
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
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
6-(benzimidazol-1-yl)-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile
CID 134343651
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-isocyanocarbazole-3-carbonitrile
CID 140850520

Frequently Asked Questions

What is the IUPAC name of 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile (CID 122501116) is 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3c(C#N)cccc3c2c1.
What is the InChIKey of 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
The InChIKey is IUXXXTMZPXBLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H19N5O/c40-20-23-8-12-35-30(16-23)31-17-24(21-41)9-13-36(31)44(35)26-10-14-37-32(18-26)28-5-1-2-7-34(28)43(37)27-11-15-38-33(19-27)29-6-3-4-25(22-42)39(29)45-38/h1-19H.
What are the key properties of 9-[9-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile?
9-[9-(6-cyanodibenzofuran-2-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-(6-cyanodibenzofuran-2-yl)carbazol-3-yl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 122501116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).