tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane

C60H45P — CID 59742138

IUPACtris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
SMILESC(=C/c1ccc(-c2ccc(P(c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C60H45P/c1-4-10-46(11-5-1)16-19-49-22-28-52(29-23-49)55-34-40-58(41-35-55)61(59-42-36-56(37-43-59)53-30-24-50(25-31-53)20-17-47-12-6-2-7-13-47)60-44-38-57(39-45-60)54-32-26-51(27-33-54)21-18-48-14-8-3-9-15-48/h1-45H/b19-16+,20-17+,21-18+
InChIKeyLAEXNRMWODPIRL-VNQRMFGESA-N
MW796.99 g/mol
LogP14.96
Rot. Bonds12

About tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane

tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane (PubChem CID 59742138) has the molecular formula C60H45P and a molecular weight of 796.99 g/mol. Its IUPAC name is tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane.

Molecular Properties

Compound Nametris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
PubChem CID59742138
Molecular FormulaC60H45P
Molecular Weight796.99 g/mol
Exact Mass796.33
IUPAC Nametris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane
SMILESC(=C/c1ccc(-c2ccc(P(c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C60H45P/c1-4-10-46(11-5-1)16-19-49-22-28-52(29-23-49)55-34-40-58(41-35-55)61(59-42-36-56(37-43-59)53-30-24-50(25-31-53)20-17-47-12-6-2-7-13-47)60-44-38-57(39-45-60)54-32-26-51(27-33-54)21-18-48-14-8-3-9-15-48/h1-45H/b19-16+,20-17+,21-18+
InChIKeyLAEXNRMWODPIRL-VNQRMFGESA-N
XLogP14.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.99
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane?
The IUPAC name of tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane (CID 59742138) is tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane.
What is the SMILES notation for tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane?
The canonical SMILES for tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane is C(=C/c1ccc(-c2ccc(P(c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)c3ccc(-c4ccc(/C=C/c5ccccc5)cc4)cc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane?
The InChIKey is LAEXNRMWODPIRL-VNQRMFGESA-N. The full InChI is InChI=1S/C60H45P/c1-4-10-46(11-5-1)16-19-49-22-28-52(29-23-49)55-34-40-58(41-35-55)61(59-42-36-56(37-43-59)53-30-24-50(25-31-53)20-17-47-12-6-2-7-13-47)60-44-38-57(39-45-60)54-32-26-51(27-33-54)21-18-48-14-8-3-9-15-48/h1-45H/b19-16+,20-17+,21-18+.
What are the key properties of tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane?
tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane has a molecular weight of 796.99 g/mol, XLogP of 14.96, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]phosphane is sourced from PubChem (CID 59742138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).