dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane

C26H27Cl2P — CID 15438629

IUPACdichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
SMILESCc1cc(C)c(-c2cc(C)cc(-c3c(C)cc(C)cc3C)c2P=C(Cl)Cl)c(C)c1
InChIInChI=1S/C26H27Cl2P/c1-14-8-17(4)23(18(5)9-14)21-12-16(3)13-22(25(21)29-26(27)28)24-19(6)10-15(2)11-20(24)7/h8-13H,1-7H3
InChIKeyNVEAMURTNKWEKK-UHFFFAOYSA-N
MW441.38 g/mol
LogP8.32
Rot. Bonds3

About dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane

dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane (PubChem CID 15438629) has the molecular formula C26H27Cl2P and a molecular weight of 441.38 g/mol. Its IUPAC name is dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane.

Molecular Properties

Compound Namedichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
PubChem CID15438629
Molecular FormulaC26H27Cl2P
Molecular Weight441.38 g/mol
Exact Mass440.12
IUPAC Namedichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
SMILESCc1cc(C)c(-c2cc(C)cc(-c3c(C)cc(C)cc3C)c2P=C(Cl)Cl)c(C)c1
InChIInChI=1S/C26H27Cl2P/c1-14-8-17(4)23(18(5)9-14)21-12-16(3)13-22(25(21)29-26(27)28)24-19(6)10-15(2)11-20(24)7/h8-13H,1-7H3
InChIKeyNVEAMURTNKWEKK-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane
CID 101172290
propan-2-ylidene-(2,4,6-trimethylphenyl)phosphane
CID 14297314
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
2,4-dimethyl-6-(2,3,5-trimethylphenyl)phenol
CID 90291954
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
CID 139248972
CID 139248972
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 137158148
CID 137158148
CID 134905872
CID 134905872
N,N,N',N'-tetramethyl-1-(2,4,6-trimethylphenyl)phosphanylidenemethanediamine
CID 12871497

Frequently Asked Questions

What is the IUPAC name of dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The IUPAC name of dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane (CID 15438629) is dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane.
What is the SMILES notation for dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The canonical SMILES for dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane is Cc1cc(C)c(-c2cc(C)cc(-c3c(C)cc(C)cc3C)c2P=C(Cl)Cl)c(C)c1.
What is the InChIKey of dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The InChIKey is NVEAMURTNKWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2P/c1-14-8-17(4)23(18(5)9-14)21-12-16(3)13-22(25(21)29-26(27)28)24-19(6)10-15(2)11-20(24)7/h8-13H,1-7H3.
What are the key properties of dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane has a molecular weight of 441.38 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane is sourced from PubChem (CID 15438629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).