9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole

C36H23BrN2 — CID 169015179

IUPAC9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
SMILESBrc1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H23BrN2/c37-25-12-9-11-24(23-25)26-17-10-22-35(38-31-18-5-1-13-27(31)28-14-2-6-19-32(28)38)36(26)39-33-20-7-3-15-29(33)30-16-4-8-21-34(30)39/h1-23H
InChIKeyLLUYHOCKLCGVSX-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.31
Rot. Bonds3

About 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole

9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole (PubChem CID 169015179) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
PubChem CID169015179
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
SMILESBrc1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H23BrN2/c37-25-12-9-11-24(23-25)26-17-10-22-35(38-31-18-5-1-13-27(31)28-14-2-6-19-32(28)38)36(26)39-33-20-7-3-15-29(33)30-16-4-8-21-34(30)39/h1-23H
InChIKeyLLUYHOCKLCGVSX-UHFFFAOYSA-N
XLogP10.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-bromophenyl)phenyl]-9-dibenzofuran-1-ylcarbazole
CID 118337417
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
2-[2-(2-bromophenyl)phenyl]-9-(2,6-diphenylphenyl)carbazole
CID 126628046
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
2-(3-bromophenyl)-9-dibenzothiophen-4-ylcarbazole
CID 118349523
2-[4-(3-bromophenyl)-2-phenylphenyl]-9-phenylcarbazole
CID 118265965
9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole
CID 168811263
4-[2,3-bis(3-methylcarbazol-9-yl)phenyl]-2-phenylbenzonitrile
CID 156678684
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole (CID 169015179) is 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole is Brc1cccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole?
The InChIKey is LLUYHOCKLCGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-25-12-9-11-24(23-25)26-17-10-22-35(38-31-18-5-1-13-27(31)28-14-2-6-19-32(28)38)36(26)39-33-20-7-3-15-29(33)30-16-4-8-21-34(30)39/h1-23H.
What are the key properties of 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole?
9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole has a molecular weight of 563.50 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 169015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).