bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane

C30H42NOP — CID 46848051

IUPACbis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane
SMILESc1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1
InChIInChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2
InChIKeyCCBRRSUORFMQCZ-UHFFFAOYSA-N
MW463.65 g/mol
LogP6.57
Rot. Bonds4

About bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane

bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane (PubChem CID 46848051) has the molecular formula C30H42NOP and a molecular weight of 463.65 g/mol. Its IUPAC name is bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane.

Molecular Properties

Compound Namebis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane
PubChem CID46848051
Molecular FormulaC30H42NOP
Molecular Weight463.65 g/mol
Exact Mass463.30
IUPAC Namebis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane
SMILESc1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1
InChIInChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2
InChIKeyCCBRRSUORFMQCZ-UHFFFAOYSA-N
XLogP6.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane 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 bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane?
The IUPAC name of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane (CID 46848051) is bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane.
What is the SMILES notation for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane?
The canonical SMILES for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane is c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCOCC2)c1.
What is the InChIKey of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane?
The InChIKey is CCBRRSUORFMQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42NOP/c1-2-4-28(27(3-1)31-5-7-32-8-6-31)33(29-15-21-9-22(16-29)11-23(10-21)17-29)30-18-24-12-25(19-30)14-26(13-24)20-30/h1-4,21-26H,5-20H2.
What are the key properties of bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane?
bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane has a molecular weight of 463.65 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantyl)-(2-morpholin-4-ylphenyl)phosphane is sourced from PubChem (CID 46848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).