6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole

C30H19BrN2 — CID 123753597

IUPAC6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C30H19BrN2/c31-23-11-13-28-27(18-23)26-17-22-14-15-32(24-8-2-1-3-9-24)29(22)19-30(26)33(28)25-12-10-20-6-4-5-7-21(20)16-25/h1-19H
InChIKeyQZFKDFIJYNJMNN-UHFFFAOYSA-N
MW487.40 g/mol
LogP8.64
Rot. Bonds2

About 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole

6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole (PubChem CID 123753597) has the molecular formula C30H19BrN2 and a molecular weight of 487.40 g/mol. Its IUPAC name is 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole
PubChem CID123753597
Molecular FormulaC30H19BrN2
Molecular Weight487.40 g/mol
Exact Mass486.07
IUPAC Name6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C30H19BrN2/c31-23-11-13-28-27(18-23)26-17-22-14-15-32(24-8-2-1-3-9-24)29(22)19-30(26)33(28)25-12-10-20-6-4-5-7-21(20)16-25/h1-19H
InChIKeyQZFKDFIJYNJMNN-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

Analyze 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole (CID 123753597) is 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole is Brc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccc2ccccc2c1.
What is the InChIKey of 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
The InChIKey is QZFKDFIJYNJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN2/c31-23-11-13-28-27(18-23)26-17-22-14-15-32(24-8-2-1-3-9-24)29(22)19-30(26)33(28)25-12-10-20-6-4-5-7-21(20)16-25/h1-19H.
What are the key properties of 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole?
6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]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 6-bromo-9-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 123753597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).