4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile

C43H25N3S — CID 122576030

IUPAC4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C43H25N3S/c44-26-27-13-17-30(18-14-27)45-40-12-6-3-9-34(40)35-23-28(15-20-41(35)45)29-16-21-42-36(24-29)37-25-31(19-22-43(37)47-42)46-38-10-4-1-7-32(38)33-8-2-5-11-39(33)46/h1-25H
InChIKeyQWCKWILBUDSISX-UHFFFAOYSA-N
MW615.76 g/mol
LogP11.79
Rot. Bonds3

About 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile

4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 122576030) has the molecular formula C43H25N3S and a molecular weight of 615.76 g/mol. Its IUPAC name is 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
PubChem CID122576030
Molecular FormulaC43H25N3S
Molecular Weight615.76 g/mol
Exact Mass615.18
IUPAC Name4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C43H25N3S/c44-26-27-13-17-30(18-14-27)45-40-12-6-3-9-34(40)35-23-28(15-20-41(35)45)29-16-21-42-36(24-29)37-25-31(19-22-43(37)47-42)46-38-10-4-1-7-32(38)33-8-2-5-11-39(33)46/h1-25H
InChIKeyQWCKWILBUDSISX-UHFFFAOYSA-N
XLogP11.79
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.76
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
3-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576049
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
CID 144619443
CID 144619443
4-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)benzonitrile
CID 126610460
8-bromodibenzothiophene-2-carbonitrile;molecular hydrogen;8-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 159682424
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
CID 134414868

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile (CID 122576030) is 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)cc1.
What is the InChIKey of 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile?
The InChIKey is QWCKWILBUDSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3S/c44-26-27-13-17-30(18-14-27)45-40-12-6-3-9-34(40)35-23-28(15-20-41(35)45)29-16-21-42-36(24-29)37-25-31(19-22-43(37)47-42)46-38-10-4-1-7-32(38)33-8-2-5-11-39(33)46/h1-25H.
What are the key properties of 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile?
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 615.76 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122576030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).