tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane

C171H147P3 — CID 159841583

IUPACtris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
SMILESC(=C/c1cccc2ccccc12)\c1ccc(P(c2ccc(/C=C/c3cccc4ccccc34)cc2)c2ccc(/C=C/c3cccc4ccccc34)cc2)cc1.Cc1ccc(C)c(C(=Cc2ccc(P(c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)cc2)c2cc(C)ccc2C)c1.Cc1ccccc1/C=C/c1ccc(P(c2ccc(/C=C/c3ccccc3C)cc2)c2ccc(/C=C/c3ccccc3C)cc2)cc1
InChIInChI=1S/C72H69P.C54H39P.C45H39P/c1-46-13-19-52(7)64(37-46)70(65-38-47(2)14-20-53(65)8)43-58-25-31-61(32-26-58)73(62-33-27-59(28-34-62)44-71(66-39-48(3)15-21-54(66)9)67-40-49(4)16-22-55(67)10)63-35-29-60(30-36-63)45-72(68-41-50(5)17-23-56(68)11)69-42-51(6)18-24-57(69)12;1-4-19-52-43(10-1)13-7-16-46(52)31-22-40-25-34-49(35-26-40)55(50-36-27-41(28-37-50)23-32-47-17-8-14-44-11-2-5-20-53(44)47)51-38-29-42(30-39-51)24-33-48-18-9-15-45-12-3-6-21-54(45)48;1-34-10-4-7-13-40(34)25-16-37-19-28-43(29-20-37)46(44-30-21-38(22-31-44)17-26-41-14-8-5-11-35(41)2)45-32-23-39(24-33-45)18-27-42-15-9-6-12-36(42)3/h13-45H,1-12H3;1-39H;4-33H,1-3H3/b;31-22+,32-23+,33-24+;25-16+,26-17+,27-18+
InChIKeyNOSYXUINKKYGLH-MIZTWPQXSA-N
MW2294.98 g/mol
LogP42.21
Rot. Bonds30

About tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane

tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane (PubChem CID 159841583) has the molecular formula C171H147P3 and a molecular weight of 2294.98 g/mol. Its IUPAC name is tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane.

Molecular Properties

Compound Nametris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
PubChem CID159841583
Molecular FormulaC171H147P3
Molecular Weight2294.98 g/mol
Exact Mass2293.07
IUPAC Nametris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
SMILESC(=C/c1cccc2ccccc12)\c1ccc(P(c2ccc(/C=C/c3cccc4ccccc34)cc2)c2ccc(/C=C/c3cccc4ccccc34)cc2)cc1.Cc1ccc(C)c(C(=Cc2ccc(P(c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)cc2)c2cc(C)ccc2C)c1.Cc1ccccc1/C=C/c1ccc(P(c2ccc(/C=C/c3ccccc3C)cc2)c2ccc(/C=C/c3ccccc3C)cc2)cc1
InChIInChI=1S/C72H69P.C54H39P.C45H39P/c1-46-13-19-52(7)64(37-46)70(65-38-47(2)14-20-53(65)8)43-58-25-31-61(32-26-58)73(62-33-27-59(28-34-62)44-71(66-39-48(3)15-21-54(66)9)67-40-49(4)16-22-55(67)10)63-35-29-60(30-36-63)45-72(68-41-50(5)17-23-56(68)11)69-42-51(6)18-24-57(69)12;1-4-19-52-43(10-1)13-7-16-46(52)31-22-40-25-34-49(35-26-40)55(50-36-27-41(28-37-50)23-32-47-17-8-14-44-11-2-5-20-53(44)47)51-38-29-42(30-39-51)24-33-48-18-9-15-45-12-3-6-21-54(45)48;1-34-10-4-7-13-40(34)25-16-37-19-28-43(29-20-37)46(44-30-21-38(22-31-44)17-26-41-14-8-5-11-35(41)2)45-32-23-39(24-33-45)18-27-42-15-9-6-12-36(42)3/h13-45H,1-12H3;1-39H;4-33H,1-3H3/b;31-22+,32-23+,33-24+;25-16+,26-17+,27-18+
InChIKeyNOSYXUINKKYGLH-MIZTWPQXSA-N
XLogP42.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002294.98
LogP ≤ 542.21
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-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane?
The IUPAC name of tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane (CID 159841583) is tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane.
What is the SMILES notation for tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane?
The canonical SMILES for tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane is C(=C/c1cccc2ccccc12)\c1ccc(P(c2ccc(/C=C/c3cccc4ccccc34)cc2)c2ccc(/C=C/c3cccc4ccccc34)cc2)cc1.Cc1ccc(C)c(C(=Cc2ccc(P(c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)c3ccc(C=C(c4cc(C)ccc4C)c4cc(C)ccc4C)cc3)cc2)c2cc(C)ccc2C)c1.Cc1ccccc1/C=C/c1ccc(P(c2ccc(/C=C/c3ccccc3C)cc2)c2ccc(/C=C/c3ccccc3C)cc2)cc1.
What is the InChIKey of tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane?
The InChIKey is NOSYXUINKKYGLH-MIZTWPQXSA-N. The full InChI is InChI=1S/C72H69P.C54H39P.C45H39P/c1-46-13-19-52(7)64(37-46)70(65-38-47(2)14-20-53(65)8)43-58-25-31-61(32-26-58)73(62-33-27-59(28-34-62)44-71(66-39-48(3)15-21-54(66)9)67-40-49(4)16-22-55(67)10)63-35-29-60(30-36-63)45-72(68-41-50(5)17-23-56(68)11)69-42-51(6)18-24-57(69)12;1-4-19-52-43(10-1)13-7-16-46(52)31-22-40-25-34-49(35-26-40)55(50-36-27-41(28-37-50)23-32-47-17-8-14-44-11-2-5-20-53(44)47)51-38-29-42(30-39-51)24-33-48-18-9-15-45-12-3-6-21-54(45)48;1-34-10-4-7-13-40(34)25-16-37-19-28-43(29-20-37)46(44-30-21-38(22-31-44)17-26-41-14-8-5-11-35(41)2)45-32-23-39(24-33-45)18-27-42-15-9-6-12-36(42)3/h13-45H,1-12H3;1-39H;4-33H,1-3H3/b;31-22+,32-23+,33-24+;25-16+,26-17+,27-18+.
What are the key properties of tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane?
tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane has a molecular weight of 2294.98 g/mol, XLogP of 42.21, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane is sourced from PubChem (CID 159841583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).