[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

C32H26NOP — CID 134954356

IUPAC[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESC1=C/C(=C2\N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C32H26NOP/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)34-32(33-30)28-22-13-23-29(28)35(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23,30-31,33H/b32-28-/t30-,31-/m1/s1
InChIKeyKFUZXNNAVQQHPQ-JKKLPUHPSA-N
MW471.54 g/mol
LogP6.89
Rot. Bonds5

About [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane

[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 134954356) has the molecular formula C32H26NOP and a molecular weight of 471.54 g/mol. Its IUPAC name is [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID134954356
Molecular FormulaC32H26NOP
Molecular Weight471.54 g/mol
Exact Mass471.18
IUPAC Name[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESC1=C/C(=C2\N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C32H26NOP/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)34-32(33-30)28-22-13-23-29(28)35(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23,30-31,33H/b32-28-/t30-,31-/m1/s1
InChIKeyKFUZXNNAVQQHPQ-JKKLPUHPSA-N
XLogP6.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 56.89
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 [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 134954356) is [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is C1=C/C(=C2\N[C@H](c3ccccc3)[C@@H](c3ccccc3)O2)C(P(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is KFUZXNNAVQQHPQ-JKKLPUHPSA-N. The full InChI is InChI=1S/C32H26NOP/c1-5-14-24(15-6-1)30-31(25-16-7-2-8-17-25)34-32(33-30)28-22-13-23-29(28)35(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-23,30-31,33H/b32-28-/t30-,31-/m1/s1.
What are the key properties of [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 471.54 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-[(4R,5R)-4,5-diphenyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 134954356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).