9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

C37H26N2S — CID 139397505

IUPAC9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C37H26N2S/c1-23-10-8-17-33-36(23)28-13-3-6-16-31(28)38(33)24-20-21-32-29(22-24)25-11-2-5-15-30(25)39(32)34-18-9-14-27-26-12-4-7-19-35(26)40-37(27)34/h2-9,11-23H,10H2,1H3
InChIKeyMFQWAKGESUCXEM-UHFFFAOYSA-N
MW530.70 g/mol
LogP10.62
Rot. Bonds2

About 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (PubChem CID 139397505) has the molecular formula C37H26N2S and a molecular weight of 530.70 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
PubChem CID139397505
Molecular FormulaC37H26N2S
Molecular Weight530.70 g/mol
Exact Mass530.18
IUPAC Name9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12
InChIInChI=1S/C37H26N2S/c1-23-10-8-17-33-36(23)28-13-3-6-16-31(28)38(33)24-20-21-32-29(22-24)25-11-2-5-15-30(25)39(32)34-18-9-14-27-26-12-4-7-19-35(26)40-37(27)34/h2-9,11-23H,10H2,1H3
InChIKeyMFQWAKGESUCXEM-UHFFFAOYSA-N
XLogP10.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole 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-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163632784
9-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 155027642
3-carbazol-9-yl-9-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831674
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
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-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
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

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (CID 139397505) is 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is CC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1sc1ccccc12.
What is the InChIKey of 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The InChIKey is MFQWAKGESUCXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2S/c1-23-10-8-17-33-36(23)28-13-3-6-16-31(28)38(33)24-20-21-32-29(22-24)25-11-2-5-15-30(25)39(32)34-18-9-14-27-26-12-4-7-19-35(26)40-37(27)34/h2-9,11-23H,10H2,1H3.
What are the key properties of 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole has a molecular weight of 530.70 g/mol, XLogP of 10.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 139397505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).