1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine

C32H24NP — CID 10694978

IUPAC1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H24NP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,33H2
InChIKeyCXPJTDITWGPSMR-UHFFFAOYSA-N
MW453.53 g/mol
LogP7.00
Rot. Bonds4

About 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine

1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine (PubChem CID 10694978) has the molecular formula C32H24NP and a molecular weight of 453.53 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
PubChem CID10694978
Molecular FormulaC32H24NP
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC Name1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C32H24NP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,33H2
InChIKeyCXPJTDITWGPSMR-UHFFFAOYSA-N
XLogP7.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.53
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine (CID 10694978) is 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine is Nc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is CXPJTDITWGPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24NP/c33-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)34(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22H,33H2.
What are the key properties of 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine?
1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 453.53 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 10694978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).