9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile

C37H20N2OS — CID 147349483

IUPAC9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C37H20N2OS/c38-21-22-15-17-32-29(19-22)25-7-1-3-12-31(25)39(32)33-13-6-10-27-30-20-23(16-18-34(30)40-36(27)33)24-9-5-11-28-26-8-2-4-14-35(26)41-37(24)28/h1-20H
InChIKeyDFCCNWIAAVLMQZ-UHFFFAOYSA-N
MW540.65 g/mol
LogP10.59
Rot. Bonds2

About 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile

9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile (PubChem CID 147349483) has the molecular formula C37H20N2OS and a molecular weight of 540.65 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
PubChem CID147349483
Molecular FormulaC37H20N2OS
Molecular Weight540.65 g/mol
Exact Mass540.13
IUPAC Name9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1ccc(-c3cccc4c3sc3ccccc34)cc12
InChIInChI=1S/C37H20N2OS/c38-21-22-15-17-32-29(19-22)25-7-1-3-12-31(25)39(32)33-13-6-10-27-30-20-23(16-18-34(30)40-36(27)33)24-9-5-11-28-26-8-2-4-14-35(26)41-37(24)28/h1-20H
InChIKeyDFCCNWIAAVLMQZ-UHFFFAOYSA-N
XLogP10.59
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.65
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-dibenzothiophen-4-ylcarbazole;3-carbazol-9-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole;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 158659848
9-dibenzothiophen-4-yl-6-(2-methylphenyl)carbazole-3-carbonitrile
CID 134343720
9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 153204329
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
3-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;2-dibenzofuran-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 160766797
9-(9-dibenzothiophen-1-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-3-yldibenzofuran-4-yl)carbazole-2-carbonitrile;9-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-3,6-dimethylcarbazole
CID 160666840
3-[2-dibenzofuran-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-[3-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[2-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;methane
CID 164981642
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 121298270
8-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-cyanophenyl]dibenzofuran-2-carbonitrile
CID 126577735

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile (CID 147349483) is 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1ccc(-c3cccc4c3sc3ccccc34)cc12.
What is the InChIKey of 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
The InChIKey is DFCCNWIAAVLMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2OS/c38-21-22-15-17-32-29(19-22)25-7-1-3-12-31(25)39(32)33-13-6-10-27-30-20-23(16-18-34(30)40-36(27)33)24-9-5-11-28-26-8-2-4-14-35(26)41-37(24)28/h1-20H.
What are the key properties of 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile?
9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile has a molecular weight of 540.65 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-4-yldibenzofuran-4-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 147349483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).