[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane

C28H38N4P2Si — CID 157451346

IUPAC[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane
SMILESC[Si](C)(C)C1=CC(C23CC4CC(CC(C4)C2CP)C3)=C(C(P)(c2cnccn2)c2cnccn2)C1
InChIInChI=1S/C28H38N4P2Si/c1-35(2,3)21-11-22(27-13-18-8-19(14-27)10-20(9-18)24(27)17-33)23(12-21)28(34,25-15-29-4-6-31-25)26-16-30-5-7-32-26/h4-7,11,15-16,18-20,24H,8-10,12-14,17,33-34H2,1-3H3
InChIKeyCYEVVDHYXNOGII-UHFFFAOYSA-N
MW520.67 g/mol
LogP6.21
Rot. Bonds6

About [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane

[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane (PubChem CID 157451346) has the molecular formula C28H38N4P2Si and a molecular weight of 520.67 g/mol. Its IUPAC name is [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane.

Molecular Properties

Compound Name[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane
PubChem CID157451346
Molecular FormulaC28H38N4P2Si
Molecular Weight520.67 g/mol
Exact Mass520.23
IUPAC Name[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane
SMILESC[Si](C)(C)C1=CC(C23CC4CC(CC(C4)C2CP)C3)=C(C(P)(c2cnccn2)c2cnccn2)C1
InChIInChI=1S/C28H38N4P2Si/c1-35(2,3)21-11-22(27-13-18-8-19(14-27)10-20(9-18)24(27)17-33)23(12-21)28(34,25-15-29-4-6-31-25)26-16-30-5-7-32-26/h4-7,11,15-16,18-20,24H,8-10,12-14,17,33-34H2,1-3H3
InChIKeyCYEVVDHYXNOGII-UHFFFAOYSA-N
XLogP6.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane 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 [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane?
The IUPAC name of [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane (CID 157451346) is [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane.
What is the SMILES notation for [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane?
The canonical SMILES for [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane is C[Si](C)(C)C1=CC(C23CC4CC(CC(C4)C2CP)C3)=C(C(P)(c2cnccn2)c2cnccn2)C1.
What is the InChIKey of [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane?
The InChIKey is CYEVVDHYXNOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4P2Si/c1-35(2,3)21-11-22(27-13-18-8-19(14-27)10-20(9-18)24(27)17-33)23(12-21)28(34,25-15-29-4-6-31-25)26-16-30-5-7-32-26/h4-7,11,15-16,18-20,24H,8-10,12-14,17,33-34H2,1-3H3.
What are the key properties of [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane?
[1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane has a molecular weight of 520.67 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[phosphanyl-di(pyrazin-2-yl)methyl]-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-2-adamantyl]methylphosphane is sourced from PubChem (CID 157451346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).