(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane

C22H28P2 — CID 101172290

IUPAC(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane
SMILESCC(=P\c1c(C)cc(C)cc1C)/C(C)=P/c1c(C)cc(C)cc1C
InChIInChI=1S/C22H28P2/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24-22-17(5)11-14(2)12-18(22)6/h9-12H,1-8H3
InChIKeyAPHYJKXIILGGLP-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.76
Rot. Bonds3

About (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane

(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane (PubChem CID 101172290) has the molecular formula C22H28P2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane
PubChem CID101172290
Molecular FormulaC22H28P2
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane
SMILESCC(=P\c1c(C)cc(C)cc1C)/C(C)=P/c1c(C)cc(C)cc1C
InChIInChI=1S/C22H28P2/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24-22-17(5)11-14(2)12-18(22)6/h9-12H,1-8H3
InChIKeyAPHYJKXIILGGLP-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-ylidene-(2,4,6-trimethylphenyl)phosphane
CID 14297314
N,N,N',N'-tetramethyl-1-(2,4,6-trimethylphenyl)phosphanylidenemethanediamine
CID 12871497
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
[2,2-dimethyl-1-(2,4,6-trimethylphenyl)phosphanylidenepropyl]-(2,4,6-trimethylphenyl)phosphane
CID 16688942
dichloromethylidene-[4-methyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
CID 15438629
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
N-(2,4,6-trimethylphenyl)propan-2-imine
CID 129229115
trihydroxy-(2,4,6-trimethylphenyl)-λ4-sulfane
CID 90820463
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
2,4,6-trimethylbenzeneselenolate
CID 13099944
CID 174602937
CID 174602937
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane?
The IUPAC name of (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane (CID 101172290) is (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane.
What is the SMILES notation for (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane?
The canonical SMILES for (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane is CC(=P\c1c(C)cc(C)cc1C)/C(C)=P/c1c(C)cc(C)cc1C.
What is the InChIKey of (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane?
The InChIKey is APHYJKXIILGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28P2/c1-13-9-15(3)21(16(4)10-13)23-19(7)20(8)24-22-17(5)11-14(2)12-18(22)6/h9-12H,1-8H3.
What are the key properties of (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane?
(2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane has a molecular weight of 354.41 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)-[3-(2,4,6-trimethylphenyl)phosphanylidenebutan-2-ylidene]phosphane is sourced from PubChem (CID 101172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).