bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane

C31H39P — CID 66781139

IUPACbis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
SMILESc1ccc2c(CP(C3C4CC5CC(C4)CC3C5)C3C4CC5CC(C4)CC3C5)cccc2c1
InChIInChI=1S/C31H39P/c1-2-7-29-23(4-1)5-3-6-24(29)18-32(30-25-10-19-8-20(12-25)13-26(30)11-19)31-27-14-21-9-22(16-27)17-28(31)15-21/h1-7,19-22,25-28,30-31H,8-18H2
InChIKeyATQHBMNFGQUQCK-UHFFFAOYSA-N
MW442.63 g/mol
LogP8.47
Rot. Bonds4

About bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane

bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane (PubChem CID 66781139) has the molecular formula C31H39P and a molecular weight of 442.63 g/mol. Its IUPAC name is bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane.

Molecular Properties

Compound Namebis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
PubChem CID66781139
Molecular FormulaC31H39P
Molecular Weight442.63 g/mol
Exact Mass442.28
IUPAC Namebis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane
SMILESc1ccc2c(CP(C3C4CC5CC(C4)CC3C5)C3C4CC5CC(C4)CC3C5)cccc2c1
InChIInChI=1S/C31H39P/c1-2-7-29-23(4-1)5-3-6-24(29)18-32(30-25-10-19-8-20(12-25)13-26(30)11-19)31-27-14-21-9-22(16-27)17-28(31)15-21/h1-7,19-22,25-28,30-31H,8-18H2
InChIKeyATQHBMNFGQUQCK-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-adamantyl)-[2-[bis(2-adamantyl)phosphanylmethyl]phenyl]phosphane
CID 87464174
N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
CID 70365722
1-(2-bicyclo[2.2.1]heptanyl)-2-naphthalen-1-ylethanamine
CID 63528750
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
CID 66760372
CID 66760372
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
1-(2-bicyclo[2.2.1]heptanyl)-3-naphthalen-1-ylpropan-2-ol
CID 63519467
bis(3-chloropropyl)-(naphthalen-1-ylmethyl)phosphane
CID 13446577
CID 57419547
CID 57419547
1-ethylnaphthalene;methylcyclopropane
CID 142069670
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane?
The IUPAC name of bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane (CID 66781139) is bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane.
What is the SMILES notation for bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane?
The canonical SMILES for bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane is c1ccc2c(CP(C3C4CC5CC(C4)CC3C5)C3C4CC5CC(C4)CC3C5)cccc2c1.
What is the InChIKey of bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane?
The InChIKey is ATQHBMNFGQUQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39P/c1-2-7-29-23(4-1)5-3-6-24(29)18-32(30-25-10-19-8-20(12-25)13-26(30)11-19)31-27-14-21-9-22(16-27)17-28(31)15-21/h1-7,19-22,25-28,30-31H,8-18H2.
What are the key properties of bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane?
bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane has a molecular weight of 442.63 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-adamantyl)-(naphthalen-1-ylmethyl)phosphane is sourced from PubChem (CID 66781139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).