(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine

C43H41NP2 — CID 148956825

About (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine

(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine (PubChem CID 148956825) has the molecular formula C43H41NP2 and a molecular weight of 633.76 g/mol. Its IUPAC name is (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine.

Molecular Properties

• Compound Name: (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
• PubChem CID: 148956825
• Molecular Formula: C43H41NP2
• Molecular Weight: 633.76 g/mol
• Exact Mass: 633.27
• IUPAC Name: (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
• SMILES: CCCN(P(c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
• InChI: InChI=1S/C43H41NP2/c1-2-31-44(46-42(36-21-11-5-12-22-36)29-30-43(46)37-23-13-6-14-24-37)45(40-27-15-25-38(32-40)34-17-7-3-8-18-34)41-28-16-26-39(33-41)35-19-9-4-10-20-35/h3-28,32-33,42-43H,2,29-31H2,1H3/t42-,43-/m0/s1
• InChIKey: PRAJPMHHNUJIMF-MJPWBCPGSA-N
• XLogP: 11.75
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.76
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine?

The IUPAC name of (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine (CID 148956825) is (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine.

What is the SMILES notation for (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine?

The canonical SMILES for (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine is CCCN(P(c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.

What is the InChIKey of (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine?

The InChIKey is PRAJPMHHNUJIMF-MJPWBCPGSA-N. The full InChI is InChI=1S/C43H41NP2/c1-2-31-44(46-42(36-21-11-5-12-22-36)29-30-43(46)37-23-13-6-14-24-37)45(40-27-15-25-38(32-40)34-17-7-3-8-18-34)41-28-16-26-39(33-41)35-19-9-4-10-20-35/h3-28,32-33,42-43H,2,29-31H2,1H3/t42-,43-/m0/s1.

What are the key properties of (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine?

(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine has a molecular weight of 633.76 g/mol, XLogP of 11.75, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine is sourced from PubChem (CID 148956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).