chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane

C28H26Cl3P — CID 15729723

IUPACchloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane
SMILESCc1cccc(P(Cl)(Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C28H26Cl3P/c1-20-7-4-10-24(15-20)32(31,25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23/h4-18H,19H2,1-3H3
InChIKeyDKNMFLOXZFTVIR-UHFFFAOYSA-N
MW499.85 g/mol
LogP8.10
Rot. Bonds5

About chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane

chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane (PubChem CID 15729723) has the molecular formula C28H26Cl3P and a molecular weight of 499.85 g/mol. Its IUPAC name is chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane.

Molecular Properties

Compound Namechloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane
PubChem CID15729723
Molecular FormulaC28H26Cl3P
Molecular Weight499.85 g/mol
Exact Mass498.08
IUPAC Namechloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane
SMILESCc1cccc(P(Cl)(Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C28H26Cl3P/c1-20-7-4-10-24(15-20)32(31,25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23/h4-18H,19H2,1-3H3
InChIKeyDKNMFLOXZFTVIR-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.85
LogP ≤ 58.10
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 chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane?
The IUPAC name of chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane (CID 15729723) is chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane.
What is the SMILES notation for chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane?
The canonical SMILES for chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane is Cc1cccc(P(Cl)(Cc2ccc(Cl)c(Cl)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane?
The InChIKey is DKNMFLOXZFTVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl3P/c1-20-7-4-10-24(15-20)32(31,25-11-5-8-21(2)16-25,26-12-6-9-22(3)17-26)19-23-13-14-27(29)28(30)18-23/h4-18H,19H2,1-3H3.
What are the key properties of chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane?
chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane has a molecular weight of 499.85 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(3,4-dichlorophenyl)methyl]-tris(3-methylphenyl)-λ5-phosphane is sourced from PubChem (CID 15729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).