1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane

C42H32P2 — CID 88727520

IUPAC1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane
SMILESCC(P(c1cccc2ccccc12)c1cccc2ccccc12)P(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C42H32P2/c1-30(43(39-26-10-18-31-14-2-6-22-35(31)39)40-27-11-19-32-15-3-7-23-36(32)40)44(41-28-12-20-33-16-4-8-24-37(33)41)42-29-13-21-34-17-5-9-25-38(34)42/h2-30H,1H3
InChIKeyOXUZMZMCOPYMIL-UHFFFAOYSA-N
MW598.67 g/mol
LogP10.21
Rot. Bonds6

About 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane

1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane (PubChem CID 88727520) has the molecular formula C42H32P2 and a molecular weight of 598.67 g/mol. Its IUPAC name is 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane.

Molecular Properties

Compound Name1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane
PubChem CID88727520
Molecular FormulaC42H32P2
Molecular Weight598.67 g/mol
Exact Mass598.20
IUPAC Name1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane
SMILESCC(P(c1cccc2ccccc12)c1cccc2ccccc12)P(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C42H32P2/c1-30(43(39-26-10-18-31-14-2-6-22-35(31)39)40-27-11-19-32-15-3-7-23-36(32)40)44(41-28-12-20-33-16-4-8-24-37(33)41)42-29-13-21-34-17-5-9-25-38(34)42/h2-30H,1H3
InChIKeyOXUZMZMCOPYMIL-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.67
LogP ≤ 510.21
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

difluoro(naphthalen-1-yl)phosphane
CID 102048113
bis(2-methylphenyl)-naphthalen-1-ylphosphane
CID 90108278
trinaphthalen-1-ylphosphane;triphenylphosphane
CID 158068976
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
CID 72945837
CID 72945837
phenanthren-9-yl-di(propan-2-yl)phosphane
CID 139184235
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
[dimethyl-[[naphthalen-1-yl(phenyl)phosphanyl]methyl]silyl]methyl-naphthalen-1-yl-phenylphosphane
CID 85293933
bis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane
CID 98067314
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205

Frequently Asked Questions

What is the IUPAC name of 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane?
The IUPAC name of 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane (CID 88727520) is 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane.
What is the SMILES notation for 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane?
The canonical SMILES for 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane is CC(P(c1cccc2ccccc12)c1cccc2ccccc12)P(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane?
The InChIKey is OXUZMZMCOPYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32P2/c1-30(43(39-26-10-18-31-14-2-6-22-35(31)39)40-27-11-19-32-15-3-7-23-36(32)40)44(41-28-12-20-33-16-4-8-24-37(33)41)42-29-13-21-34-17-5-9-25-38(34)42/h2-30H,1H3.
What are the key properties of 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane?
1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane has a molecular weight of 598.67 g/mol, XLogP of 10.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dinaphthalen-1-ylphosphanylethyl(dinaphthalen-1-yl)phosphane is sourced from PubChem (CID 88727520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).