2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene

C24H24O2P2 — CID 20606068

IUPAC2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
SMILESCP(C)(=O)c1ccc2ccccc2c1-c1c(P(C)(C)=O)ccc2ccccc12
InChIInChI=1S/C24H24O2P2/c1-27(2,25)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)28(3,4)26/h5-16H,1-4H3
InChIKeyMDQMPGXSJKJNIX-UHFFFAOYSA-N
MW406.40 g/mol
LogP6.16
Rot. Bonds3

About 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene

2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene (PubChem CID 20606068) has the molecular formula C24H24O2P2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
PubChem CID20606068
Molecular FormulaC24H24O2P2
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene
SMILESCP(C)(=O)c1ccc2ccccc2c1-c1c(P(C)(C)=O)ccc2ccccc12
InChIInChI=1S/C24H24O2P2/c1-27(2,25)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)28(3,4)26/h5-16H,1-4H3
InChIKeyMDQMPGXSJKJNIX-UHFFFAOYSA-N
XLogP6.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene (CID 20606068) is 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene is CP(C)(=O)c1ccc2ccccc2c1-c1c(P(C)(C)=O)ccc2ccccc12.
What is the InChIKey of 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene?
The InChIKey is MDQMPGXSJKJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2P2/c1-27(2,25)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)28(3,4)26/h5-16H,1-4H3.
What are the key properties of 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene?
2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene has a molecular weight of 406.40 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-1-(2-dimethylphosphorylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 20606068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).