9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole

C42H25NS2 — CID 146725670

IUPAC9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-9-26(10-3-1)27-17-20-37-33(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-32-35-25-29(19-22-41(35)45-42(32)38)28-18-21-40-34(24-28)31-12-5-7-16-39(31)44-40/h1-25H
InChIKeyRGIAOJLMXRHTGK-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole

9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole (PubChem CID 146725670) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
PubChem CID146725670
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-9-26(10-3-1)27-17-20-37-33(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-32-35-25-29(19-22-41(35)45-42(32)38)28-18-21-40-34(24-28)31-12-5-7-16-39(31)44-40/h1-25H
InChIKeyRGIAOJLMXRHTGK-UHFFFAOYSA-N
XLogP12.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112
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
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
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
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-chloro-6-dibenzothiophen-2-yl-9-dibenzothiophen-4-ylcarbazole
CID 137493978
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole?
The IUPAC name of 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole (CID 146725670) is 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole.
What is the SMILES notation for 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole?
The canonical SMILES for 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2sc2ccc(-c4ccc5sc6ccccc6c5c4)cc23)cc1.
What is the InChIKey of 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole?
The InChIKey is RGIAOJLMXRHTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-9-26(10-3-1)27-17-20-37-33(23-27)30-11-4-6-14-36(30)43(37)38-15-8-13-32-35-25-29(19-22-41(35)45-42(32)38)28-18-21-40-34(24-28)31-12-5-7-16-39(31)44-40/h1-25H.
What are the key properties of 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole?
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole has a molecular weight of 607.80 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole is sourced from PubChem (CID 146725670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).