CID 15520595

C24H18BN9- — CID 15520595

IUPAC—
SMILESc1ccc(-c2ccn([B-](n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H/q-1
InChIKeyOUUXADQDWVPQKA-UHFFFAOYSA-N
MW443.28 g/mol
LogP3.39
Rot. Bonds6

About CID 15520595

CID 15520595 (PubChem CID 15520595) has the molecular formula C24H18BN9- and a molecular weight of 443.28 g/mol.

Molecular Properties

Compound NameCID 15520595
PubChem CID15520595
Molecular FormulaC24H18BN9-
Molecular Weight443.28 g/mol
Exact Mass443.18
IUPAC Name—
SMILESc1ccc(-c2ccn([B-](n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H/q-1
InChIKeyOUUXADQDWVPQKA-UHFFFAOYSA-N
XLogP3.39
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze CID 15520595 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 15520595?
The IUPAC name of CID 15520595 (CID 15520595) is not available.
What is the SMILES notation for CID 15520595?
The canonical SMILES for CID 15520595 is c1ccc(-c2ccn([B-](n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of CID 15520595?
The InChIKey is OUUXADQDWVPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H/q-1.
What are the key properties of CID 15520595?
CID 15520595 has a molecular weight of 443.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15520595 is sourced from PubChem (CID 15520595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).