9-benzyl-3,6-dibromocarbazole

C38H26Br4N2 — CID 139068506

IUPAC9-benzyl-3,6-dibromocarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1.Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1
InChIInChI=1S/2C19H13Br2N/c2*20-14-6-8-18-16(10-14)17-11-15(21)7-9-19(17)22(18)12-13-4-2-1-3-5-13/h2*1-11H,12H2
InChIKeyBPEXAHLVWPQYMN-UHFFFAOYSA-N
MW830.26 g/mol
LogP12.74
Rot. Bonds4

About 9-benzyl-3,6-dibromocarbazole

9-benzyl-3,6-dibromocarbazole (PubChem CID 139068506) has the molecular formula C38H26Br4N2 and a molecular weight of 830.26 g/mol. Its IUPAC name is 9-benzyl-3,6-dibromocarbazole.

Molecular Properties

Compound Name9-benzyl-3,6-dibromocarbazole
PubChem CID139068506
Molecular FormulaC38H26Br4N2
Molecular Weight830.26 g/mol
Exact Mass825.88
IUPAC Name9-benzyl-3,6-dibromocarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1.Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1
InChIInChI=1S/2C19H13Br2N/c2*20-14-6-8-18-16(10-14)17-11-15(21)7-9-19(17)22(18)12-13-4-2-1-3-5-13/h2*1-11H,12H2
InChIKeyBPEXAHLVWPQYMN-UHFFFAOYSA-N
XLogP12.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.26
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-benzyl-3,6-dibromocarbazole 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 9-benzyl-3,6-dibromocarbazole?
The IUPAC name of 9-benzyl-3,6-dibromocarbazole (CID 139068506) is 9-benzyl-3,6-dibromocarbazole.
What is the SMILES notation for 9-benzyl-3,6-dibromocarbazole?
The canonical SMILES for 9-benzyl-3,6-dibromocarbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1.Brc1ccc2c(c1)c1cc(Br)ccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3,6-dibromocarbazole?
The InChIKey is BPEXAHLVWPQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13Br2N/c2*20-14-6-8-18-16(10-14)17-11-15(21)7-9-19(17)22(18)12-13-4-2-1-3-5-13/h2*1-11H,12H2.
What are the key properties of 9-benzyl-3,6-dibromocarbazole?
9-benzyl-3,6-dibromocarbazole has a molecular weight of 830.26 g/mol, XLogP of 12.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3,6-dibromocarbazole is sourced from PubChem (CID 139068506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).