2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium

C32H23BrNO+ — CID 156682959

IUPAC2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium
SMILESC=Cc1ccc(Oc2ccc([N+]3(c4ccccc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C32H23BrNO/c1-2-23-12-17-27(18-13-23)35-28-19-15-26(16-20-28)34(25-8-4-3-5-9-25)31-11-7-6-10-29(31)30-21-14-24(33)22-32(30)34/h2-22H,1H2/q+1
InChIKeyLEHNBVNMLIRMKG-UHFFFAOYSA-N
MW517.45 g/mol
LogP10.17
Rot. Bonds5

About 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium

2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium (PubChem CID 156682959) has the molecular formula C32H23BrNO+ and a molecular weight of 517.45 g/mol. Its IUPAC name is 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium.

Molecular Properties

Compound Name2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium
PubChem CID156682959
Molecular FormulaC32H23BrNO+
Molecular Weight517.45 g/mol
Exact Mass516.10
IUPAC Name2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium
SMILESC=Cc1ccc(Oc2ccc([N+]3(c4ccccc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C32H23BrNO/c1-2-23-12-17-27(18-13-23)35-28-19-15-26(16-20-28)34(25-8-4-3-5-9-25)31-11-7-6-10-29(31)30-21-14-24(33)22-32(30)34/h2-22H,1H2/q+1
InChIKeyLEHNBVNMLIRMKG-UHFFFAOYSA-N
XLogP10.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.45
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium 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-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium?
The IUPAC name of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium (CID 156682959) is 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium.
What is the SMILES notation for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium?
The canonical SMILES for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium is C=Cc1ccc(Oc2ccc([N+]3(c4ccccc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium?
The InChIKey is LEHNBVNMLIRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23BrNO/c1-2-23-12-17-27(18-13-23)35-28-19-15-26(16-20-28)34(25-8-4-3-5-9-25)31-11-7-6-10-29(31)30-21-14-24(33)22-32(30)34/h2-22H,1H2/q+1.
What are the key properties of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium?
2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium has a molecular weight of 517.45 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-phenylcarbazol-9-ium is sourced from PubChem (CID 156682959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).