[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane

C36H56P2 — CID 87284868

IUPAC[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane
SMILESCC(C)(C)C(P)(c1ccc(C(P)(C(C)(C)C)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C36H56P2/c1-31(2,3)35(37,33-17-23-11-24(18-33)13-25(12-23)19-33)29-7-9-30(10-8-29)36(38,32(4,5)6)34-20-26-14-27(21-34)16-28(15-26)22-34/h7-10,23-28H,11-22,37-38H2,1-6H3
InChIKeyFEBOBZVXYZMDJM-UHFFFAOYSA-N
MW550.79 g/mol
LogP10.35
Rot. Bonds4

About [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane

[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane (PubChem CID 87284868) has the molecular formula C36H56P2 and a molecular weight of 550.79 g/mol. Its IUPAC name is [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane.

Molecular Properties

Compound Name[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane
PubChem CID87284868
Molecular FormulaC36H56P2
Molecular Weight550.79 g/mol
Exact Mass550.39
IUPAC Name[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane
SMILESCC(C)(C)C(P)(c1ccc(C(P)(C(C)(C)C)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C36H56P2/c1-31(2,3)35(37,33-17-23-11-24(18-33)13-25(12-23)19-33)29-7-9-30(10-8-29)36(38,32(4,5)6)34-20-26-14-27(21-34)16-28(15-26)22-34/h7-10,23-28H,11-22,37-38H2,1-6H3
InChIKeyFEBOBZVXYZMDJM-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.79
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane?
The IUPAC name of [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane (CID 87284868) is [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane.
What is the SMILES notation for [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane?
The canonical SMILES for [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane is CC(C)(C)C(P)(c1ccc(C(P)(C(C)(C)C)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane?
The InChIKey is FEBOBZVXYZMDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56P2/c1-31(2,3)35(37,33-17-23-11-24(18-33)13-25(12-23)19-33)29-7-9-30(10-8-29)36(38,32(4,5)6)34-20-26-14-27(21-34)16-28(15-26)22-34/h7-10,23-28H,11-22,37-38H2,1-6H3.
What are the key properties of [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane?
[1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane has a molecular weight of 550.79 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-adamantyl)-1-[4-[1-(1-adamantyl)-2,2-dimethyl-1-phosphanylpropyl]phenyl]-2,2-dimethylpropyl]phosphane is sourced from PubChem (CID 87284868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).