tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride

C59H60Cl2P2 — CID 57341829

IUPACtris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride
SMILESCc1ccc([P+](Cc2ccc(CCCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C59H60P2.2ClH/c1-44-10-30-54(31-11-44)60(55-32-12-45(2)13-33-55,56-34-14-46(3)15-35-56)42-52-26-22-50(23-27-52)8-7-9-51-24-28-53(29-25-51)43-61(57-36-16-47(4)17-37-57,58-38-18-48(5)19-39-58)59-40-20-49(6)21-41-59;;/h10-41H,7-9,42-43H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFWNJJNZBKXCGLB-UHFFFAOYSA-L
MW901.98 g/mol
LogP6.71
Rot. Bonds14

About tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride

tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride (PubChem CID 57341829) has the molecular formula C59H60Cl2P2 and a molecular weight of 901.98 g/mol. Its IUPAC name is tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride.

Molecular Properties

Compound Nametris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride
PubChem CID57341829
Molecular FormulaC59H60Cl2P2
Molecular Weight901.98 g/mol
Exact Mass900.35
IUPAC Nametris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride
SMILESCc1ccc([P+](Cc2ccc(CCCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-]
InChIInChI=1S/C59H60P2.2ClH/c1-44-10-30-54(31-11-44)60(55-32-12-45(2)13-33-55,56-34-14-46(3)15-35-56)42-52-26-22-50(23-27-52)8-7-9-51-24-28-53(29-25-51)43-61(57-36-16-47(4)17-37-57,58-38-18-48(5)19-39-58)59-40-20-49(6)21-41-59;;/h10-41H,7-9,42-43H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyFWNJJNZBKXCGLB-UHFFFAOYSA-L
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.98
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride?
The IUPAC name of tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride (CID 57341829) is tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride.
What is the SMILES notation for tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride?
The canonical SMILES for tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride is Cc1ccc([P+](Cc2ccc(CCCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-].
What is the InChIKey of tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride?
The InChIKey is FWNJJNZBKXCGLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C59H60P2.2ClH/c1-44-10-30-54(31-11-44)60(55-32-12-45(2)13-33-55,56-34-14-46(3)15-35-56)42-52-26-22-50(23-27-52)8-7-9-51-24-28-53(29-25-51)43-61(57-36-16-47(4)17-37-57,58-38-18-48(5)19-39-58)59-40-20-49(6)21-41-59;;/h10-41H,7-9,42-43H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride?
tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride has a molecular weight of 901.98 g/mol, XLogP of 6.71, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)-[[4-[3-[4-[tris(4-methylphenyl)phosphaniumylmethyl]phenyl]propyl]phenyl]methyl]phosphanium dichloride is sourced from PubChem (CID 57341829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).