bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane

C149H121P3 — CID 160728696

IUPACbis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
SMILESC(=C/c1ccccc1-c1ccccc1)\c1ccc(P(c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)cc1.C/C(=C\c1ccccc1)c1ccc(P(c2ccc(/C(C)=C/c3ccccc3)cc2)c2ccc(/C(C)=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(P(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H45P.C45H39P.C44H37P/c1-4-16-49(17-5-1)58-25-13-10-22-52(58)37-28-46-31-40-55(41-32-46)61(56-42-33-47(34-43-56)29-38-53-23-11-14-26-59(53)50-18-6-2-7-19-50)57-44-35-48(36-45-57)30-39-54-24-12-15-27-60(54)51-20-8-3-9-21-51;1-34(31-37-13-7-4-8-14-37)40-19-25-43(26-20-40)46(44-27-21-41(22-28-44)35(2)32-38-15-9-5-10-16-38)45-29-23-42(24-30-45)36(3)33-39-17-11-6-12-18-39;1-34-8-12-37(13-9-34)18-20-40-24-30-43(31-25-40)45(42-28-22-39(23-29-42)17-16-36-6-4-3-5-7-36)44-32-26-41(27-33-44)21-19-38-14-10-35(2)11-15-38/h1-45H;4-33H,1-3H3;3-33H,1-2H3/b37-28+,38-29+,39-30+;34-31+,35-32+,36-33+;17-16+,20-18+,21-19+
InChIKeyRUAYBKSGWHXVDH-FZTYJTQQSA-N
MW2004.53 g/mol
LogP36.66
Rot. Bonds30

About bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane

bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane (PubChem CID 160728696) has the molecular formula C149H121P3 and a molecular weight of 2004.53 g/mol. Its IUPAC name is bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namebis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
PubChem CID160728696
Molecular FormulaC149H121P3
Molecular Weight2004.53 g/mol
Exact Mass2002.87
IUPAC Namebis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane
SMILESC(=C/c1ccccc1-c1ccccc1)\c1ccc(P(c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)cc1.C/C(=C\c1ccccc1)c1ccc(P(c2ccc(/C(C)=C/c3ccccc3)cc2)c2ccc(/C(C)=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(P(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H45P.C45H39P.C44H37P/c1-4-16-49(17-5-1)58-25-13-10-22-52(58)37-28-46-31-40-55(41-32-46)61(56-42-33-47(34-43-56)29-38-53-23-11-14-26-59(53)50-18-6-2-7-19-50)57-44-35-48(36-45-57)30-39-54-24-12-15-27-60(54)51-20-8-3-9-21-51;1-34(31-37-13-7-4-8-14-37)40-19-25-43(26-20-40)46(44-27-21-41(22-28-44)35(2)32-38-15-9-5-10-16-38)45-29-23-42(24-30-45)36(3)33-39-17-11-6-12-18-39;1-34-8-12-37(13-9-34)18-20-40-24-30-43(31-25-40)45(42-28-22-39(23-29-42)17-16-36-6-4-3-5-7-36)44-32-26-41(27-33-44)21-19-38-14-10-35(2)11-15-38/h1-45H;4-33H,1-3H3;3-33H,1-2H3/b37-28+,38-29+,39-30+;34-31+,35-32+,36-33+;17-16+,20-18+,21-19+
InChIKeyRUAYBKSGWHXVDH-FZTYJTQQSA-N
XLogP36.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002004.53
LogP ≤ 536.66
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 bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane?
The IUPAC name of bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane (CID 160728696) is bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane.
What is the SMILES notation for bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane?
The canonical SMILES for bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane is C(=C/c1ccccc1-c1ccccc1)\c1ccc(P(c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)c2ccc(/C=C/c3ccccc3-c3ccccc3)cc2)cc1.C/C(=C\c1ccccc1)c1ccc(P(c2ccc(/C(C)=C/c3ccccc3)cc2)c2ccc(/C(C)=C/c3ccccc3)cc2)cc1.Cc1ccc(/C=C/c2ccc(P(c3ccc(/C=C/c4ccccc4)cc3)c3ccc(/C=C/c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane?
The InChIKey is RUAYBKSGWHXVDH-FZTYJTQQSA-N. The full InChI is InChI=1S/C60H45P.C45H39P.C44H37P/c1-4-16-49(17-5-1)58-25-13-10-22-52(58)37-28-46-31-40-55(41-32-46)61(56-42-33-47(34-43-56)29-38-53-23-11-14-26-59(53)50-18-6-2-7-19-50)57-44-35-48(36-45-57)30-39-54-24-12-15-27-60(54)51-20-8-3-9-21-51;1-34(31-37-13-7-4-8-14-37)40-19-25-43(26-20-40)46(44-27-21-41(22-28-44)35(2)32-38-15-9-5-10-16-38)45-29-23-42(24-30-45)36(3)33-39-17-11-6-12-18-39;1-34-8-12-37(13-9-34)18-20-40-24-30-43(31-25-40)45(42-28-22-39(23-29-42)17-16-36-6-4-3-5-7-36)44-32-26-41(27-33-44)21-19-38-14-10-35(2)11-15-38/h1-45H;4-33H,1-3H3;3-33H,1-2H3/b37-28+,38-29+,39-30+;34-31+,35-32+,36-33+;17-16+,20-18+,21-19+.
What are the key properties of bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane?
bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane has a molecular weight of 2004.53 g/mol, XLogP of 36.66, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-[4-[(E)-2-phenylethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-phenylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-1-phenylprop-1-en-2-yl]phenyl]phosphane is sourced from PubChem (CID 160728696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).