3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole

C36H22Br2N2 — CID 90347872

IUPAC3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H22Br2N2/c37-25-12-15-28(16-13-25)40-35-18-11-24(21-31(35)32-22-26(38)14-19-36(32)40)23-10-17-34-30(20-23)29-8-4-5-9-33(29)39(34)27-6-2-1-3-7-27/h1-22H
InChIKeyLYYLLBIQIPKGLY-UHFFFAOYSA-N
MW642.39 g/mol
LogP11.07
Rot. Bonds3

About 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole

3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 90347872) has the molecular formula C36H22Br2N2 and a molecular weight of 642.39 g/mol. Its IUPAC name is 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID90347872
Molecular FormulaC36H22Br2N2
Molecular Weight642.39 g/mol
Exact Mass640.01
IUPAC Name3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C36H22Br2N2/c37-25-12-15-28(16-13-25)40-35-18-11-24(21-31(35)32-22-26(38)14-19-36(32)40)23-10-17-34-30(20-23)29-8-4-5-9-33(29)39(34)27-6-2-1-3-7-27/h1-22H
InChIKeyLYYLLBIQIPKGLY-UHFFFAOYSA-N
XLogP11.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.39
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-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

3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
3-bromo-9-phenylcarbazole;3-(4-bromophenyl)-9-phenylcarbazole;deuterium monohydride;1,4-dibromobenzene;methane;hydrofluoride
CID 159380291
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole (CID 90347872) is 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole is Brc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is LYYLLBIQIPKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N2/c37-25-12-15-28(16-13-25)40-35-18-11-24(21-31(35)32-22-26(38)14-19-36(32)40)23-10-17-34-30(20-23)29-8-4-5-9-33(29)39(34)27-6-2-1-3-7-27/h1-22H.
What are the key properties of 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole?
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 642.39 g/mol, XLogP of 11.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 90347872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).