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

C30H29N2P — CID 12061340

IUPACdiphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1CN(c2ccccc2)C(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=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
InChIKeyAHHHPCYXAVMQMO-MUUNZHRXSA-N
MW448.55 g/mol
LogP5.74
Rot. Bonds6

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 Namediphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane
PubChem CID12061340
Molecular FormulaC30H29N2P
Molecular Weight448.55 g/mol
Exact Mass448.21
IUPAC Namediphenyl-[2-[(4S)-1-phenyl-4-propan-2-yl-4,5-dihydroimidazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1CN(c2ccccc2)C(c2ccccc2P(c2ccccc2)c2ccccc2)=N1
InChIInChI=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
InChIKeyAHHHPCYXAVMQMO-MUUNZHRXSA-N
XLogP5.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).