diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane

C26H21NOP- — CID 134848402

IUPACdiphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane
SMILESC1=C/C(=C2/[N-][C@@H](c3ccccc3)CO2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C26H21NOP/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,24H,19H2/q-1/b26-23+/t24-/m1/s1
InChIKeyQLXUGPINZFCGGY-PNNQIPOWSA-N
MW394.43 g/mol
LogP5.93
Rot. Bonds4

About diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane

diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane (PubChem CID 134848402) has the molecular formula C26H21NOP- and a molecular weight of 394.43 g/mol. Its IUPAC name is diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane
PubChem CID134848402
Molecular FormulaC26H21NOP-
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Namediphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane
SMILESC1=C/C(=C2/[N-][C@@H](c3ccccc3)CO2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C26H21NOP/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,24H,19H2/q-1/b26-23+/t24-/m1/s1
InChIKeyQLXUGPINZFCGGY-PNNQIPOWSA-N
XLogP5.93
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane?
The IUPAC name of diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane (CID 134848402) is diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane.
What is the SMILES notation for diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane?
The canonical SMILES for diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane is C1=C/C(=C2/[N-][C@@H](c3ccccc3)CO2)C(P(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane?
The InChIKey is QLXUGPINZFCGGY-PNNQIPOWSA-N. The full InChI is InChI=1S/C26H21NOP/c1-4-11-20(12-5-1)24-19-28-26(27-24)23-17-10-18-25(23)29(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,24H,19H2/q-1/b26-23+/t24-/m1/s1.
What are the key properties of diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane?
diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane has a molecular weight of 394.43 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(5E)-5-[(4S)-4-phenyl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphane is sourced from PubChem (CID 134848402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).