3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole

C42H26N2S — CID 70658946

IUPAC3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2S/c1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39/h1-26H
InChIKeyNUGPGBPYELBJDI-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole

3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole (PubChem CID 70658946) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
PubChem CID70658946
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C42H26N2S/c1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39/h1-26H
InChIKeyNUGPGBPYELBJDI-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
8-(9-dibenzothiophen-4-yl-7-phenylcarbazol-3-yl)-11-phenylbenzo[a]carbazole
CID 167243897
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole (CID 70658946) is 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
The InChIKey is NUGPGBPYELBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-2-11-29(12-3-1)43-36-17-7-5-14-31(36)35-25-27(22-24-38(35)43)28-21-23-32-30-13-4-8-18-37(30)44(40(32)26-28)39-19-10-16-34-33-15-6-9-20-41(33)45-42(34)39/h1-26H.
What are the key properties of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole?
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 70658946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).