6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine

C26H38NP — CID 146582990

IUPAC6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1C=CC=CC1c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H38NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-23,25H,3-8,13-16H2,1-2H3
InChIKeyYKCNTEAGZBZAPQ-UHFFFAOYSA-N
MW395.57 g/mol
LogP6.60
Rot. Bonds5

About 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine

6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 146582990) has the molecular formula C26H38NP and a molecular weight of 395.57 g/mol. Its IUPAC name is 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID146582990
Molecular FormulaC26H38NP
Molecular Weight395.57 g/mol
Exact Mass395.27
IUPAC Name6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1C=CC=CC1c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H38NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-23,25H,3-8,13-16H2,1-2H3
InChIKeyYKCNTEAGZBZAPQ-UHFFFAOYSA-N
XLogP6.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 56.60
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 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 146582990) is 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine is CN(C)C1C=CC=CC1c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is YKCNTEAGZBZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38NP/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h9-12,17-23,25H,3-8,13-16H2,1-2H3.
What are the key properties of 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine?
6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 395.57 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 146582990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).