3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole

C36H22N2S — CID 118534268

IUPAC3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)ccc12
InChIInChI=1S/C36H22N2S/c1-4-12-30-24(8-1)25-18-16-23(21-31(25)37-30)22-17-19-33-29(20-22)26-9-2-5-13-32(26)38(33)34-14-7-11-28-27-10-3-6-15-35(27)39-36(28)34/h1-21,37H
InChIKeyPKUWAIKJKJLHCV-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.45
Rot. Bonds2

About 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole

3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole (PubChem CID 118534268) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
PubChem CID118534268
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)ccc12
InChIInChI=1S/C36H22N2S/c1-4-12-30-24(8-1)25-18-16-23(21-31(25)37-30)22-17-19-33-29(20-22)26-9-2-5-13-32(26)38(33)34-14-7-11-28-27-10-3-6-15-35(27)39-36(28)34/h1-21,37H
InChIKeyPKUWAIKJKJLHCV-UHFFFAOYSA-N
XLogP10.45
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
1-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479590
2-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
6-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-4-carbonitrile
CID 90194308

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole (CID 118534268) is 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole is c1ccc2c(c1)[nH]c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4c3sc3ccccc34)ccc12.
What is the InChIKey of 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole?
The InChIKey is PKUWAIKJKJLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-4-12-30-24(8-1)25-18-16-23(21-31(25)37-30)22-17-19-33-29(20-22)26-9-2-5-13-32(26)38(33)34-14-7-11-28-27-10-3-6-15-35(27)39-36(28)34/h1-21,37H.
What are the key properties of 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole?
3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole has a molecular weight of 514.65 g/mol, XLogP of 10.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-2-yl)-9-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 118534268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).