diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane

C36H32NOP — CID 10792206

IUPACdiphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
SMILESc1ccc(P(CC[C@H]2COC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)c2ccccc2)cc1
InChIInChI=1S/C36H32NOP/c1-6-16-29(17-7-1)36(30-18-8-2-9-19-30,31-20-10-3-11-21-31)35-37-32(28-38-35)26-27-39(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,32H,26-28H2/t32-/m0/s1
InChIKeyDUPSXQCQECCSIE-YTTGMZPUSA-N
MW525.63 g/mol
LogP7.34
Rot. Bonds9

About diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane

diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane (PubChem CID 10792206) has the molecular formula C36H32NOP and a molecular weight of 525.63 g/mol. Its IUPAC name is diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
PubChem CID10792206
Molecular FormulaC36H32NOP
Molecular Weight525.63 g/mol
Exact Mass525.22
IUPAC Namediphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane
SMILESc1ccc(P(CC[C@H]2COC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)c2ccccc2)cc1
InChIInChI=1S/C36H32NOP/c1-6-16-29(17-7-1)36(30-18-8-2-9-19-30,31-20-10-3-11-21-31)35-37-32(28-38-35)26-27-39(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,32H,26-28H2/t32-/m0/s1
InChIKeyDUPSXQCQECCSIE-YTTGMZPUSA-N
XLogP7.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane?
The IUPAC name of diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane (CID 10792206) is diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane?
The canonical SMILES for diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane is c1ccc(P(CC[C@H]2COC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane?
The InChIKey is DUPSXQCQECCSIE-YTTGMZPUSA-N. The full InChI is InChI=1S/C36H32NOP/c1-6-16-29(17-7-1)36(30-18-8-2-9-19-30,31-20-10-3-11-21-31)35-37-32(28-38-35)26-27-39(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25,32H,26-28H2/t32-/m0/s1.
What are the key properties of diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane?
diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane has a molecular weight of 525.63 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(4S)-2-trityl-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phosphane is sourced from PubChem (CID 10792206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).