9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole

C36H23BrN2 — CID 168811263

IUPAC9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole
SMILESBrc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C36H23BrN2/c37-30-23-36(39-33-20-10-6-16-27(33)28-17-7-11-21-34(28)39)35(22-29(30)24-12-2-1-3-13-24)38-31-18-8-4-14-25(31)26-15-5-9-19-32(26)38/h1-23H
InChIKeyFKJYDXSKWYVPTE-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.31
Rot. Bonds3

About 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole

9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole (PubChem CID 168811263) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole
PubChem CID168811263
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole
SMILESBrc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1
InChIInChI=1S/C36H23BrN2/c37-30-23-36(39-33-20-10-6-16-27(33)28-17-7-11-21-34(28)39)35(22-29(30)24-12-2-1-3-13-24)38-31-18-8-4-14-25(31)26-15-5-9-19-32(26)38/h1-23H
InChIKeyFKJYDXSKWYVPTE-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

9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-(2,3-dibromo-6-phenylphenyl)carbazole
CID 141276557
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
2-(3,5-dibromophenyl)-9-(2,5-diphenylphenyl)carbazole
CID 118682582
9-[2-(3-bromophenyl)-6-carbazol-9-ylphenyl]carbazole
CID 169015179
2-[2-(2-bromophenyl)phenyl]-9-(2,6-diphenylphenyl)carbazole
CID 126628046
9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
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
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole?
The IUPAC name of 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole (CID 168811263) is 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole.
What is the SMILES notation for 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole?
The canonical SMILES for 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole is Brc1cc(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)cc1-c1ccccc1.
What is the InChIKey of 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole?
The InChIKey is FKJYDXSKWYVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-30-23-36(39-33-20-10-6-16-27(33)28-17-7-11-21-34(28)39)35(22-29(30)24-12-2-1-3-13-24)38-31-18-8-4-14-25(31)26-15-5-9-19-32(26)38/h1-23H.
What are the key properties of 9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole?
9-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)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-(4-bromo-2-carbazol-9-yl-5-phenylphenyl)carbazole is sourced from PubChem (CID 168811263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).