diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane

C30H29N2P — CID 12061340

About diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane

diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane (PubChem CID 12061340) has the molecular formula C30H29N2P and a molecular weight of 448.55 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane.

Molecular Properties

• Compound Name: diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane
• PubChem CID: 12061340
• Molecular Formula: C30H29N2P
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.21
• IUPAC Name: diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane
• SMILES: CC(C)[C@H]1CN(c2ccccc2)C(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
• InChI: InChI=1S/C30H29N2P/c1-23(2)28-22-32(24-14-6-3-7-15-24)30(31-28)27-20-12-13-21-29(27)33(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23,28H,22H2,1-2H3/t28-/m1/s1
• InChIKey: AHHHPCYXAVMQMO-MUUNZHRXSA-N
• XLogP: 5.74
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane?

The IUPAC name of diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane (CID 12061340) is diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane.

What is the SMILES notation for diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane?

The canonical SMILES for diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane is CC(C)[C@H]1CN(c2ccccc2)C(c2ccccc2P(c2ccccc2)c2ccccc2)=N1.

What is the InChIKey of diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane?

The InChIKey is AHHHPCYXAVMQMO-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H29N2P/c1-23(2)28-22-32(24-14-6-3-7-15-24)30(31-28)27-20-12-13-21-29(27)33(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23,28H,22H2,1-2H3/t28-/m1/s1.

What are the key properties of diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane?

diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane has a molecular weight of 448.55 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 12061340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).