[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane

C33H27N2P — CID 20705055

IUPAC[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H27N2P/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)35-33(34-31)29-23-13-14-24-30(29)36(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,31-32H,(H,34,35)/t31-,32-/m0/s1
InChIKeyBEHRTCMNHMQAFX-ACHIHNKUSA-N
MW482.57 g/mol
LogP6.28
Rot. Bonds6

About [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane

[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane (PubChem CID 20705055) has the molecular formula C33H27N2P and a molecular weight of 482.57 g/mol. Its IUPAC name is [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane
PubChem CID20705055
Molecular FormulaC33H27N2P
Molecular Weight482.57 g/mol
Exact Mass482.19
IUPAC Name[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane
SMILESc1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)N[C@H]2c2ccccc2)cc1
InChIInChI=1S/C33H27N2P/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)35-33(34-31)29-23-13-14-24-30(29)36(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,31-32H,(H,34,35)/t31-,32-/m0/s1
InChIKeyBEHRTCMNHMQAFX-ACHIHNKUSA-N
XLogP6.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 56.28
H-Bond Donors ≤ 51
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 [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane?
The IUPAC name of [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane (CID 20705055) is [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane is c1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)N[C@H]2c2ccccc2)cc1.
What is the InChIKey of [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane?
The InChIKey is BEHRTCMNHMQAFX-ACHIHNKUSA-N. The full InChI is InChI=1S/C33H27N2P/c1-5-15-25(16-6-1)31-32(26-17-7-2-8-18-26)35-33(34-31)29-23-13-14-24-30(29)36(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,31-32H,(H,34,35)/t31-,32-/m0/s1.
What are the key properties of [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane?
[2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane has a molecular weight of 482.57 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 20705055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).