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

C42H26N2S — CID 121244792

IUPAC4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C42H26N2S/c1-2-11-28(12-3-1)43-37-18-8-5-15-33(37)42-30(16-10-19-39(42)43)27-21-23-38-34(25-27)31-13-4-7-17-36(31)44(38)29-22-24-41-35(26-29)32-14-6-9-20-40(32)45-41/h1-26H
InChIKeyOQOLOMUTCMDZLH-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

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

4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 121244792) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID121244792
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cccc32)cc1
InChIInChI=1S/C42H26N2S/c1-2-11-28(12-3-1)43-37-18-8-5-15-33(37)42-30(16-10-19-39(42)43)27-21-23-38-34(25-27)31-13-4-7-17-36(31)44(38)29-22-24-41-35(26-29)32-14-6-9-20-40(32)45-41/h1-26H
InChIKeyOQOLOMUTCMDZLH-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

Analyze 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-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-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 161317954
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599828

Frequently Asked Questions

What is the IUPAC name of 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole (CID 121244792) is 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cccc32)cc1.
What is the InChIKey of 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is OQOLOMUTCMDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-2-11-28(12-3-1)43-37-18-8-5-15-33(37)42-30(16-10-19-39(42)43)27-21-23-38-34(25-27)31-13-4-7-17-36(31)44(38)29-22-24-41-35(26-29)32-14-6-9-20-40(32)45-41/h1-26H.
What are the key properties of 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole?
4-(9-dibenzothiophen-2-ylcarbazol-3-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 4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 121244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).