3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole

C44H27BrN2S — CID 122666254

IUPAC3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole
SMILESBrc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccn(-c4ccccc4)c3c2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C44H27BrN2S/c45-32-24-30(23-31(25-32)35-13-8-16-43-44(35)37-12-5-7-15-42(37)48-43)29-18-20-40-38(26-29)36-11-4-6-14-39(36)47(40)34-19-17-28-21-22-46(41(28)27-34)33-9-2-1-3-10-33/h1-27H
InChIKeyCFBMESPHSZRDLE-UHFFFAOYSA-N
MW695.69 g/mol
LogP13.19
Rot. Bonds4

About 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole

3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole (PubChem CID 122666254) has the molecular formula C44H27BrN2S and a molecular weight of 695.69 g/mol. Its IUPAC name is 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole.

Molecular Properties

Compound Name3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole
PubChem CID122666254
Molecular FormulaC44H27BrN2S
Molecular Weight695.69 g/mol
Exact Mass694.11
IUPAC Name3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole
SMILESBrc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccn(-c4ccccc4)c3c2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C44H27BrN2S/c45-32-24-30(23-31(25-32)35-13-8-16-43-44(35)37-12-5-7-15-42(37)48-43)29-18-20-40-38(26-29)36-11-4-6-14-39(36)47(40)34-19-17-28-21-22-46(41(28)27-34)33-9-2-1-3-10-33/h1-27H
InChIKeyCFBMESPHSZRDLE-UHFFFAOYSA-N
XLogP13.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.69
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole?
The IUPAC name of 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole (CID 122666254) is 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole.
What is the SMILES notation for 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole?
The canonical SMILES for 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole is Brc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccn(-c4ccccc4)c3c2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole?
The InChIKey is CFBMESPHSZRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27BrN2S/c45-32-24-30(23-31(25-32)35-13-8-16-43-44(35)37-12-5-7-15-42(37)48-43)29-18-20-40-38(26-29)36-11-4-6-14-39(36)47(40)34-19-17-28-21-22-46(41(28)27-34)33-9-2-1-3-10-33/h1-27H.
What are the key properties of 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole?
3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole has a molecular weight of 695.69 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-dibenzothiophen-1-ylphenyl)-9-(1-phenylindol-6-yl)carbazole is sourced from PubChem (CID 122666254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).