CID 58741303

C30H47BO2P — CID 58741303

About CID 58741303

CID 58741303 (PubChem CID 58741303) has the molecular formula C30H47BO2P and a molecular weight of 481.49 g/mol.

Molecular Properties

• Compound Name: CID 58741303
• PubChem CID: 58741303
• Molecular Formula: C30H47BO2P
• Molecular Weight: 481.49 g/mol
• Exact Mass: 481.34
• IUPAC Name: —
• SMILES: [B-][PH+](c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1
• InChI: InChI=1S/C30H47BO2P/c1-27(2,3)21-15-19(16-22(25(21)32-13)28(4,5)6)34(31)20-17-23(29(7,8)9)26(33-14)24(18-20)30(10,11)12/h15-18,34H,1-14H3
• InChIKey: FCZKRYAGMOECTM-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 58741303?

The IUPAC name of CID 58741303 (CID 58741303) is not available.

What is the SMILES notation for CID 58741303?

The canonical SMILES for CID 58741303 is [B-][PH+](c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1.

What is the InChIKey of CID 58741303?

The InChIKey is FCZKRYAGMOECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47BO2P/c1-27(2,3)21-15-19(16-22(25(21)32-13)28(4,5)6)34(31)20-17-23(29(7,8)9)26(33-14)24(18-20)30(10,11)12/h15-18,34H,1-14H3.

What are the key properties of CID 58741303?

CID 58741303 has a molecular weight of 481.49 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for CID 58741303 is sourced from PubChem (CID 58741303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).