2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole

C23H19BrN2 — CID 172504647

IUPAC2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ncccc3C3=CCCCC3)c2c1
InChIInChI=1S/C23H19BrN2/c24-17-12-13-20-19-9-4-5-11-21(19)26(22(20)15-17)23-18(10-6-14-25-23)16-7-2-1-3-8-16/h4-7,9-15H,1-3,8H2
InChIKeyUXFVMPWGDQYOQU-UHFFFAOYSA-N
MW403.32 g/mol
LogP6.90
Rot. Bonds2

About 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole

2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole (PubChem CID 172504647) has the molecular formula C23H19BrN2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole
PubChem CID172504647
Molecular FormulaC23H19BrN2
Molecular Weight403.32 g/mol
Exact Mass402.07
IUPAC Name2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ncccc3C3=CCCCC3)c2c1
InChIInChI=1S/C23H19BrN2/c24-17-12-13-20-19-9-4-5-11-21(19)26(22(20)15-17)23-18(10-6-14-25-23)16-7-2-1-3-8-16/h4-7,9-15H,1-3,8H2
InChIKeyUXFVMPWGDQYOQU-UHFFFAOYSA-N
XLogP6.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]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 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole?
The IUPAC name of 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole (CID 172504647) is 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole is Brc1ccc2c3ccccc3n(-c3ncccc3C3=CCCCC3)c2c1.
What is the InChIKey of 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole?
The InChIKey is UXFVMPWGDQYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2/c24-17-12-13-20-19-9-4-5-11-21(19)26(22(20)15-17)23-18(10-6-14-25-23)16-7-2-1-3-8-16/h4-7,9-15H,1-3,8H2.
What are the key properties of 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole?
2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole has a molecular weight of 403.32 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[3-(cyclohexen-1-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 172504647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).