[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide

C27H50PSi2- — CID 101445672

IUPAC[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide
SMILESCC(C)c1cc(C(C)C)c([Si](=[P-])[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C27H50PSi2/c1-18(2)21-16-22(19(3)4)24(23(17-21)20(5)6)29(28)30(25(7,8)9,26(10,11)12)27(13,14)15/h16-20H,1-15H3/q-1
InChIKeyCTWQIVRENGQGJH-UHFFFAOYSA-N
MW461.84 g/mol
LogP9.59
Rot. Bonds5

About [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide

[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide (PubChem CID 101445672) has the molecular formula C27H50PSi2- and a molecular weight of 461.84 g/mol. Its IUPAC name is [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide.

Molecular Properties

Compound Name[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide
PubChem CID101445672
Molecular FormulaC27H50PSi2-
Molecular Weight461.84 g/mol
Exact Mass461.32
IUPAC Name[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide
SMILESCC(C)c1cc(C(C)C)c([Si](=[P-])[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C27H50PSi2/c1-18(2)21-16-22(19(3)4)24(23(17-21)20(5)6)29(28)30(25(7,8)9,26(10,11)12)27(13,14)15/h16-20H,1-15H3/q-1
InChIKeyCTWQIVRENGQGJH-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.84
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide?
The IUPAC name of [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide (CID 101445672) is [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide.
What is the SMILES notation for [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide?
The canonical SMILES for [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide is CC(C)c1cc(C(C)C)c([Si](=[P-])[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide?
The InChIKey is CTWQIVRENGQGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50PSi2/c1-18(2)21-16-22(19(3)4)24(23(17-21)20(5)6)29(28)30(25(7,8)9,26(10,11)12)27(13,14)15/h16-20H,1-15H3/q-1.
What are the key properties of [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide?
[tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide has a molecular weight of 461.84 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [tritert-butylsilyl-[2,4,6-tri(propan-2-yl)phenyl]silylidene]phosphanide is sourced from PubChem (CID 101445672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).