(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]

C34H26N2O2P+ — CID 164677123

About (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]

(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium] (PubChem CID 164677123) has the molecular formula C34H26N2O2P+ and a molecular weight of 525.57 g/mol. Its IUPAC name is (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium].

Molecular Properties

• Compound Name: (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
• PubChem CID: 164677123
• Molecular Formula: C34H26N2O2P+
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.17
• IUPAC Name: (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]
• SMILES: c1ccc([C@H]2N[P+]3(N[C@H](c4ccccc4)c4c(ccc5ccccc45)O3)Oc3ccc4ccccc4c32)cc1
• InChI: InChI=1S/C34H26N2O2P/c1-3-13-25(14-4-1)33-31-27-17-9-7-11-23(27)19-21-29(31)37-39(35-33)36-34(26-15-5-2-6-16-26)32-28-18-10-8-12-24(28)20-22-30(32)38-39/h1-22,33-36H/q+1/t33-,34-,39?/m1/s1
• InChIKey: KRWQUUKIVUBWCI-GLIDJFGMSA-N
• XLogP: 8.51
• TPSA: 42.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	2
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 (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]?

The IUPAC name of (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium] (CID 164677123) is (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium].

What is the SMILES notation for (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]?

The canonical SMILES for (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium] is c1ccc([C@H]2N[P+]3(N[C@H](c4ccccc4)c4c(ccc5ccccc45)O3)Oc3ccc4ccccc4c32)cc1.

What is the InChIKey of (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]?

The InChIKey is KRWQUUKIVUBWCI-GLIDJFGMSA-N. The full InChI is InChI=1S/C34H26N2O2P/c1-3-13-25(14-4-1)33-31-27-17-9-7-11-23(27)19-21-29(31)37-39(35-33)36-34(26-15-5-2-6-16-26)32-28-18-10-8-12-24(28)20-22-30(32)38-39/h1-22,33-36H/q+1/t33-,34-,39?/m1/s1.

What are the key properties of (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium]?

(1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium] has a molecular weight of 525.57 g/mol, XLogP of 8.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,1'R)-1,1'-diphenyl-3,3'-spirobi[1,2-dihydrobenzo[f][1,3,2]benzoxazaphosphinin-3-ium] is sourced from PubChem (CID 164677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).