1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide

C33H24NO2P — CID 11156225

IUPAC1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H24NO2P/c34-33(35)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)37(36,25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,(H2,34,35)
InChIKeyNMEIWYVBRAOXPH-UHFFFAOYSA-N
MW497.53 g/mol
LogP6.40
Rot. Bonds5

About 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide

1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide (PubChem CID 11156225) has the molecular formula C33H24NO2P and a molecular weight of 497.53 g/mol. Its IUPAC name is 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide
PubChem CID11156225
Molecular FormulaC33H24NO2P
Molecular Weight497.53 g/mol
Exact Mass497.15
IUPAC Name1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide
SMILESNC(=O)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H24NO2P/c34-33(35)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)37(36,25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,(H2,34,35)
InChIKeyNMEIWYVBRAOXPH-UHFFFAOYSA-N
XLogP6.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 56.40
H-Bond Donors ≤ 51
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 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide?
The IUPAC name of 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide (CID 11156225) is 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide?
The canonical SMILES for 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide is NC(=O)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide?
The InChIKey is NMEIWYVBRAOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24NO2P/c34-33(35)29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)37(36,25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,(H2,34,35).
What are the key properties of 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide?
1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 11156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).