CID 144976694

C34H22BN3 — CID 144976694

About CID 144976694

CID 144976694 (PubChem CID 144976694) has the molecular formula C34H22BN3 and a molecular weight of 483.38 g/mol.

Molecular Properties

• Compound Name: CID 144976694
• PubChem CID: 144976694
• Molecular Formula: C34H22BN3
• Molecular Weight: 483.38 g/mol
• Exact Mass: 483.19
• IUPAC Name: —
• SMILES: [B]c1cccc2c1c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C34H22BN3/c35-28-18-10-20-32-33(28)27-17-7-8-19-31(27)38(32)26-16-9-15-25(21-26)34-36-29(23-11-3-1-4-12-23)22-30(37-34)24-13-5-2-6-14-24/h1-22H
• InChIKey: BBRAXISCGFFWIH-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.38
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 144976694?

The IUPAC name of CID 144976694 (CID 144976694) is not available.

What is the SMILES notation for CID 144976694?

The canonical SMILES for CID 144976694 is [B]c1cccc2c1c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.

What is the InChIKey of CID 144976694?

The InChIKey is BBRAXISCGFFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BN3/c35-28-18-10-20-32-33(28)27-17-7-8-19-31(27)38(32)26-16-9-15-25(21-26)34-36-29(23-11-3-1-4-12-23)22-30(37-34)24-13-5-2-6-14-24/h1-22H.

What are the key properties of CID 144976694?

CID 144976694 has a molecular weight of 483.38 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 144976694 is sourced from PubChem (CID 144976694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).