1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine

C34H40NP — CID 11375328

IUPAC1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2ccccc2c1-c1c(P(C2CCCCC2)C2CCCCC2)ccc2ccccc12
InChIInChI=1S/C34H40NP/c1-35(2)31-23-21-25-13-9-11-19-29(25)33(31)34-30-20-12-10-14-26(30)22-24-32(34)36(27-15-5-3-6-16-27)28-17-7-4-8-18-28/h9-14,19-24,27-28H,3-8,15-18H2,1-2H3
InChIKeyRPYPOPOEFOKJNA-UHFFFAOYSA-N
MW493.68 g/mol
LogP9.50
Rot. Bonds5

About 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine

1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine (PubChem CID 11375328) has the molecular formula C34H40NP and a molecular weight of 493.68 g/mol. Its IUPAC name is 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
PubChem CID11375328
Molecular FormulaC34H40NP
Molecular Weight493.68 g/mol
Exact Mass493.29
IUPAC Name1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine
SMILESCN(C)c1ccc2ccccc2c1-c1c(P(C2CCCCC2)C2CCCCC2)ccc2ccccc12
InChIInChI=1S/C34H40NP/c1-35(2)31-23-21-25-13-9-11-19-29(25)33(31)34-30-20-12-10-14-26(30)22-24-32(34)36(27-15-5-3-6-16-27)28-17-7-4-8-18-28/h9-14,19-24,27-28H,3-8,15-18H2,1-2H3
InChIKeyRPYPOPOEFOKJNA-UHFFFAOYSA-N
XLogP9.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine (CID 11375328) is 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine is CN(C)c1ccc2ccccc2c1-c1c(P(C2CCCCC2)C2CCCCC2)ccc2ccccc12.
What is the InChIKey of 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
The InChIKey is RPYPOPOEFOKJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40NP/c1-35(2)31-23-21-25-13-9-11-19-29(25)33(31)34-30-20-12-10-14-26(30)22-24-32(34)36(27-15-5-3-6-16-27)28-17-7-4-8-18-28/h9-14,19-24,27-28H,3-8,15-18H2,1-2H3.
What are the key properties of 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine?
1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine has a molecular weight of 493.68 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dicyclohexylphosphanylnaphthalen-1-yl)-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 11375328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).