CID 158151536

C24H17N2+ — CID 158151536

IUPAC—
SMILESC=C1Cc2cccc3c2C24c5c(cccc5Cc5cccc([n+]52)[C-]=[N+]14)C3
InChIInChI=1S/C24H17N2/c1-15-11-16-5-2-6-17-12-18-7-3-8-19-13-20-9-4-10-21-14-25(15)24(22(16)17,23(18)19)26(20)21/h2-10H,1,11-13H2/q+1
InChIKeyBHZGYQGRQIHTAJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.92
Rot. Bonds

About CID 158151536

CID 158151536 (PubChem CID 158151536) has the molecular formula C24H17N2+ and a molecular weight of 333.41 g/mol.

Molecular Properties

Compound NameCID 158151536
PubChem CID158151536
Molecular FormulaC24H17N2+
Molecular Weight333.41 g/mol
Exact Mass333.14
IUPAC Name—
SMILESC=C1Cc2cccc3c2C24c5c(cccc5Cc5cccc([n+]52)[C-]=[N+]14)C3
InChIInChI=1S/C24H17N2/c1-15-11-16-5-2-6-17-12-18-7-3-8-19-13-20-9-4-10-21-14-25(15)24(22(16)17,23(18)19)26(20)21/h2-10H,1,11-13H2/q+1
InChIKeyBHZGYQGRQIHTAJ-UHFFFAOYSA-N
XLogP2.92
TPSA6.89 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze CID 158151536 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 CID 158151536?
The IUPAC name of CID 158151536 (CID 158151536) is not available.
What is the SMILES notation for CID 158151536?
The canonical SMILES for CID 158151536 is C=C1Cc2cccc3c2C24c5c(cccc5Cc5cccc([n+]52)[C-]=[N+]14)C3.
What is the InChIKey of CID 158151536?
The InChIKey is BHZGYQGRQIHTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2/c1-15-11-16-5-2-6-17-12-18-7-3-8-19-13-20-9-4-10-21-14-25(15)24(22(16)17,23(18)19)26(20)21/h2-10H,1,11-13H2/q+1.
What are the key properties of CID 158151536?
CID 158151536 has a molecular weight of 333.41 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158151536 is sourced from PubChem (CID 158151536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).