(3-bromocarbazol-9-yl)-phenylmethanone

C19H12BrNO — CID 58556481

IUPAC(3-bromocarbazol-9-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C19H12BrNO/c20-14-10-11-18-16(12-14)15-8-4-5-9-17(15)21(18)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyCSLLZWBWBQIUIG-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.25
Rot. Bonds1

About (3-bromocarbazol-9-yl)-phenylmethanone

(3-bromocarbazol-9-yl)-phenylmethanone (PubChem CID 58556481) has the molecular formula C19H12BrNO and a molecular weight of 350.22 g/mol. Its IUPAC name is (3-bromocarbazol-9-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromocarbazol-9-yl)-phenylmethanone
PubChem CID58556481
Molecular FormulaC19H12BrNO
Molecular Weight350.22 g/mol
Exact Mass349.01
IUPAC Name(3-bromocarbazol-9-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C19H12BrNO/c20-14-10-11-18-16(12-14)15-8-4-5-9-17(15)21(18)19(22)13-6-2-1-3-7-13/h1-12H
InChIKeyCSLLZWBWBQIUIG-UHFFFAOYSA-N
XLogP5.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromocarbazol-9-yl)-phenylmethanone 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 (3-bromocarbazol-9-yl)-phenylmethanone?
The IUPAC name of (3-bromocarbazol-9-yl)-phenylmethanone (CID 58556481) is (3-bromocarbazol-9-yl)-phenylmethanone.
What is the SMILES notation for (3-bromocarbazol-9-yl)-phenylmethanone?
The canonical SMILES for (3-bromocarbazol-9-yl)-phenylmethanone is O=C(c1ccccc1)n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of (3-bromocarbazol-9-yl)-phenylmethanone?
The InChIKey is CSLLZWBWBQIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO/c20-14-10-11-18-16(12-14)15-8-4-5-9-17(15)21(18)19(22)13-6-2-1-3-7-13/h1-12H.
What are the key properties of (3-bromocarbazol-9-yl)-phenylmethanone?
(3-bromocarbazol-9-yl)-phenylmethanone has a molecular weight of 350.22 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromocarbazol-9-yl)-phenylmethanone is sourced from PubChem (CID 58556481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).