diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone

C33H30NO3P — CID 167651859

About diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone

diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone (PubChem CID 167651859) has the molecular formula C33H30NO3P and a molecular weight of 519.58 g/mol. Its IUPAC name is diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone.

Molecular Properties

• Compound Name: diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
• PubChem CID: 167651859
• Molecular Formula: C33H30NO3P
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.20
• IUPAC Name: diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
• SMILES: Cc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(=O)P(=O)(c4ccccc4)c4ccccc4)ccc3O1)N2C
• InChI: InChI=1S/C33H30NO3P/c1-23-15-17-29-28(21-23)32(2,3)33(34(29)4)20-19-24-22-25(16-18-30(24)37-33)31(35)38(36,26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-22H,1-4H3
• InChIKey: QRPFVFMYGALHLV-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?

The IUPAC name of diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone (CID 167651859) is diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone.

What is the SMILES notation for diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?

The canonical SMILES for diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone is Cc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(C(=O)P(=O)(c4ccccc4)c4ccccc4)ccc3O1)N2C.

What is the InChIKey of diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?

The InChIKey is QRPFVFMYGALHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30NO3P/c1-23-15-17-29-28(21-23)32(2,3)33(34(29)4)20-19-24-22-25(16-18-30(24)37-33)31(35)38(36,26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-22H,1-4H3.

What are the key properties of diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone?

diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone has a molecular weight of 519.58 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone is sourced from PubChem (CID 167651859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).