9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole

C39H27BrN2 — CID 67473702

IUPAC9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H27BrN2/c1-39(2)33-21-24(40)15-20-27(33)31-23-38-32(22-34(31)39)30-11-5-8-14-37(30)42(38)26-18-16-25(17-19-26)41-35-12-6-3-9-28(35)29-10-4-7-13-36(29)41/h3-23H,1-2H3
InChIKeyGBGFZVIZMCUGGM-UHFFFAOYSA-N
MW603.56 g/mol
LogP10.95
Rot. Bonds2

About 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole

9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 67473702) has the molecular formula C39H27BrN2 and a molecular weight of 603.56 g/mol. Its IUPAC name is 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID67473702
Molecular FormulaC39H27BrN2
Molecular Weight603.56 g/mol
Exact Mass602.14
IUPAC Name9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C39H27BrN2/c1-39(2)33-21-24(40)15-20-27(33)31-23-38-32(22-34(31)39)30-11-5-8-14-37(30)42(38)26-18-16-25(17-19-26)41-35-12-6-3-9-28(35)29-10-4-7-13-36(29)41/h3-23H,1-2H3
InChIKeyGBGFZVIZMCUGGM-UHFFFAOYSA-N
XLogP10.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.56
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole (CID 67473702) is 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is GBGFZVIZMCUGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27BrN2/c1-39(2)33-21-24(40)15-20-27(33)31-23-38-32(22-34(31)39)30-11-5-8-14-37(30)42(38)26-18-16-25(17-19-26)41-35-12-6-3-9-28(35)29-10-4-7-13-36(29)41/h3-23H,1-2H3.
What are the key properties of 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole?
9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 603.56 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 67473702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).