phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane

C33H25OP — CID 171483675

IUPACphenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
SMILESC1=C(c2ccccc2)c2ccccc2C1=P(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25OP/c1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)35(28-19-9-3-10-20-28,29-21-11-4-12-22-29)34-27-17-7-2-8-18-27/h1-25H
InChIKeyTZTHLRRCUJXBDE-UHFFFAOYSA-N
MW468.54 g/mol
LogP7.32
Rot. Bonds5

About phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane

phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane (PubChem CID 171483675) has the molecular formula C33H25OP and a molecular weight of 468.54 g/mol. Its IUPAC name is phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane.

Molecular Properties

Compound Namephenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
PubChem CID171483675
Molecular FormulaC33H25OP
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Namephenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane
SMILESC1=C(c2ccccc2)c2ccccc2C1=P(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H25OP/c1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)35(28-19-9-3-10-20-28,29-21-11-4-12-22-29)34-27-17-7-2-8-18-27/h1-25H
InChIKeyTZTHLRRCUJXBDE-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 57.32
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 phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The IUPAC name of phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane (CID 171483675) is phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane.
What is the SMILES notation for phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The canonical SMILES for phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane is C1=C(c2ccccc2)c2ccccc2C1=P(Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
The InChIKey is TZTHLRRCUJXBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25OP/c1-5-15-26(16-6-1)32-25-33(31-24-14-13-23-30(31)32)35(28-19-9-3-10-20-28,29-21-11-4-12-22-29)34-27-17-7-2-8-18-27/h1-25H.
What are the key properties of phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane?
phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane has a molecular weight of 468.54 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy-diphenyl-(3-phenylinden-1-ylidene)-λ5-phosphane is sourced from PubChem (CID 171483675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).