9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole

C42H25NS2 — CID 123499174

IUPAC9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-38-35(24-27)29-12-4-6-18-37(29)43(38)28-21-23-40-36(25-28)34-17-9-16-33(42(34)45-40)32-15-8-14-31-30-13-5-7-19-39(30)44-41(31)32/h1-25H
InChIKeyJPNNWHUPMCFNRU-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole

9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole (PubChem CID 123499174) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
PubChem CID123499174
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-38-35(24-27)29-12-4-6-18-37(29)43(38)28-21-23-40-36(25-28)34-17-9-16-33(42(34)45-40)32-15-8-14-31-30-13-5-7-19-39(30)44-41(31)32/h1-25H
InChIKeyJPNNWHUPMCFNRU-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-(6-dibenzothiophen-4-yldibenzothiophen-2-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

3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
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-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
9-[3-[8-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;9-[2,6-di(dibenzothiophen-4-yl)phenyl]carbazole;4-[2,3-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene
CID 162040237
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988

Frequently Asked Questions

What is the IUPAC name of 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole?
The IUPAC name of 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole (CID 123499174) is 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole.
What is the SMILES notation for 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole?
The canonical SMILES for 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole?
The InChIKey is JPNNWHUPMCFNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-10-26(11-3-1)27-20-22-38-35(24-27)29-12-4-6-18-37(29)43(38)28-21-23-40-36(25-28)34-17-9-16-33(42(34)45-40)32-15-8-14-31-30-13-5-7-19-39(30)44-41(31)32/h1-25H.
What are the key properties of 9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole?
9-(6-dibenzothiophen-4-yldibenzothiophen-2-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-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole is sourced from PubChem (CID 123499174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).