3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole

C37H32BrN — CID 53330087

IUPAC3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole
SMILESCCCCCCn1c2ccccc2c2cc(C3(c4ccccc4Br)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C37H32BrN/c1-2-3-4-13-24-39-35-21-12-7-16-29(35)30-25-26(22-23-36(30)39)37(33-19-10-11-20-34(33)38)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h5-12,14-23,25H,2-4,13,24H2,1H3
InChIKeyUQJCNCKYLILWNI-UHFFFAOYSA-N
MW570.57 g/mol
LogP10.50
Rot. Bonds7

About 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole

3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole (PubChem CID 53330087) has the molecular formula C37H32BrN and a molecular weight of 570.57 g/mol. Its IUPAC name is 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole.

Molecular Properties

Compound Name3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole
PubChem CID53330087
Molecular FormulaC37H32BrN
Molecular Weight570.57 g/mol
Exact Mass569.17
IUPAC Name3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole
SMILESCCCCCCn1c2ccccc2c2cc(C3(c4ccccc4Br)c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C37H32BrN/c1-2-3-4-13-24-39-35-21-12-7-16-29(35)30-25-26(22-23-36(30)39)37(33-19-10-11-20-34(33)38)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h5-12,14-23,25H,2-4,13,24H2,1H3
InChIKeyUQJCNCKYLILWNI-UHFFFAOYSA-N
XLogP10.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole 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-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole?
The IUPAC name of 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole (CID 53330087) is 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole.
What is the SMILES notation for 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole?
The canonical SMILES for 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole is CCCCCCn1c2ccccc2c2cc(C3(c4ccccc4Br)c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole?
The InChIKey is UQJCNCKYLILWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32BrN/c1-2-3-4-13-24-39-35-21-12-7-16-29(35)30-25-26(22-23-36(30)39)37(33-19-10-11-20-34(33)38)31-17-8-5-14-27(31)28-15-6-9-18-32(28)37/h5-12,14-23,25H,2-4,13,24H2,1H3.
What are the key properties of 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole?
3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole has a molecular weight of 570.57 g/mol, XLogP of 10.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-bromophenyl)fluoren-9-yl]-9-hexylcarbazole is sourced from PubChem (CID 53330087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).