CID 88894534

C34H24BN — CID 88894534

About CID 88894534

CID 88894534 (PubChem CID 88894534) has the molecular formula C34H24BN and a molecular weight of 457.39 g/mol.

Molecular Properties

• Compound Name: CID 88894534
• PubChem CID: 88894534
• Molecular Formula: C34H24BN
• Molecular Weight: 457.39 g/mol
• Exact Mass: 457.20
• IUPAC Name: —
• SMILES: [B]c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C34H24BN/c35-30-21-17-27(18-22-30)25-13-15-26(16-14-25)28-19-23-32(24-20-28)36(31-9-2-1-3-10-31)34-12-6-8-29-7-4-5-11-33(29)34/h1-24H
• InChIKey: PVGADUKIRZVTEL-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.39
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 88894534?

The IUPAC name of CID 88894534 (CID 88894534) is not available.

What is the SMILES notation for CID 88894534?

The canonical SMILES for CID 88894534 is [B]c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1.

What is the InChIKey of CID 88894534?

The InChIKey is PVGADUKIRZVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24BN/c35-30-21-17-27(18-22-30)25-13-15-26(16-14-25)28-19-23-32(24-20-28)36(31-9-2-1-3-10-31)34-12-6-8-29-7-4-5-11-33(29)34/h1-24H.

What are the key properties of CID 88894534?

CID 88894534 has a molecular weight of 457.39 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for CID 88894534 is sourced from PubChem (CID 88894534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).