9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile

C38H23N3S — CID 126754484

IUPAC9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc4sc5c(-n6c7ccccc7c7cc(C#N)ccc76)cccc5c4c3)c2c1
InChIInChI=1S/C38H23N3S/c1-23-13-16-28-26-7-2-4-10-32(26)40(36(28)19-23)25-15-18-37-31(21-25)29-9-6-12-35(38(29)42-37)41-33-11-5-3-8-27(33)30-20-24(22-39)14-17-34(30)41/h2-21H,1H3
InChIKeySGEABAVONYTHKH-UHFFFAOYSA-N
MW553.69 g/mol
LogP10.43
Rot. Bonds2

About 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile

9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile (PubChem CID 126754484) has the molecular formula C38H23N3S and a molecular weight of 553.69 g/mol. Its IUPAC name is 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
PubChem CID126754484
Molecular FormulaC38H23N3S
Molecular Weight553.69 g/mol
Exact Mass553.16
IUPAC Name9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc4sc5c(-n6c7ccccc7c7cc(C#N)ccc76)cccc5c4c3)c2c1
InChIInChI=1S/C38H23N3S/c1-23-13-16-28-26-7-2-4-10-32(26)40(36(28)19-23)25-15-18-37-31(21-25)29-9-6-12-35(38(29)42-37)41-33-11-5-3-8-27(33)30-20-24(22-39)14-17-34(30)41/h2-21H,1H3
InChIKeySGEABAVONYTHKH-UHFFFAOYSA-N
XLogP10.43
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122498901
9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
4-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]dibenzothiophene-2-carbonitrile
CID 122498896
9-[8-[8-(3-methylcarbazol-9-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 118396704
9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
4,8-di(carbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 122498900
8-(3-isocyanocarbazol-9-yl)-4-(3-methylcarbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 159477530
9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile
CID 160662938
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 164996360
3,9-bis(9-phenylcarbazol-3-yl)carbazole;4-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]benzonitrile;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160765349

Frequently Asked Questions

What is the IUPAC name of 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile (CID 126754484) is 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile is Cc1ccc2c3ccccc3n(-c3ccc4sc5c(-n6c7ccccc7c7cc(C#N)ccc76)cccc5c4c3)c2c1.
What is the InChIKey of 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile?
The InChIKey is SGEABAVONYTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S/c1-23-13-16-28-26-7-2-4-10-32(26)40(36(28)19-23)25-15-18-37-31(21-25)29-9-6-12-35(38(29)42-37)41-33-11-5-3-8-27(33)30-20-24(22-39)14-17-34(30)41/h2-21H,1H3.
What are the key properties of 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile?
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile has a molecular weight of 553.69 g/mol, XLogP of 10.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 126754484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).