9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile

C38H20N4O — CID 118396755

IUPAC9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)30-18-24(22-40)10-14-36(30)42(35)26-12-16-38-32(20-26)31-19-25(11-15-37(31)43-38)41-33-7-3-1-5-27(33)28-6-2-4-8-34(28)41/h1-20H
InChIKeyFLFGITQTIRLMDG-UHFFFAOYSA-N
MW548.61 g/mol
LogP9.52
Rot. Bonds2

About 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile

9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile (PubChem CID 118396755) has the molecular formula C38H20N4O and a molecular weight of 548.61 g/mol. Its IUPAC name is 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
PubChem CID118396755
Molecular FormulaC38H20N4O
Molecular Weight548.61 g/mol
Exact Mass548.16
IUPAC Name9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)30-18-24(22-40)10-14-36(30)42(35)26-12-16-38-32(20-26)31-19-25(11-15-37(31)43-38)41-33-7-3-1-5-27(33)28-6-2-4-8-34(28)41/h1-20H
InChIKeyFLFGITQTIRLMDG-UHFFFAOYSA-N
XLogP9.52
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
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
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-[8-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 140822958
9-[8-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;ethane;propane
CID 145345110
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[8-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
CID 140822892

Frequently Asked Questions

What is the IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile (CID 118396755) is 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile?
The InChIKey is FLFGITQTIRLMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4O/c39-21-23-9-13-35-29(17-23)30-18-24(22-40)10-14-36(30)42(35)26-12-16-38-32(20-26)31-19-25(11-15-37(31)43-38)41-33-7-3-1-5-27(33)28-6-2-4-8-34(28)41/h1-20H.
What are the key properties of 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile?
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile has a molecular weight of 548.61 g/mol, XLogP of 9.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 118396755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).