9-(3-bromo-5-carbazol-9-ylphenyl)carbazole

C30H19BrN2 — CID 59770826

IUPAC9-(3-bromo-5-carbazol-9-ylphenyl)carbazole
SMILESBrc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H19BrN2/c31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h1-19H
InChIKeySJOKONNBSXFPSN-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.64
Rot. Bonds2

About 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole

9-(3-bromo-5-carbazol-9-ylphenyl)carbazole (PubChem CID 59770826) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(3-bromo-5-carbazol-9-ylphenyl)carbazole
PubChem CID59770826
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name9-(3-bromo-5-carbazol-9-ylphenyl)carbazole
SMILESBrc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H19BrN2/c31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h1-19H
InChIKeySJOKONNBSXFPSN-UHFFFAOYSA-N
XLogP8.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole?
The IUPAC name of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole (CID 59770826) is 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole.
What is the SMILES notation for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole?
The canonical SMILES for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole is Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole?
The InChIKey is SJOKONNBSXFPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33/h1-19H.
What are the key properties of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole?
9-(3-bromo-5-carbazol-9-ylphenyl)carbazole has a molecular weight of 487.40 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole is sourced from PubChem (CID 59770826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).