octan-2-ylimino(triphenyl)-λ5-phosphane

C26H32NP — CID 134884290

IUPACoctan-2-ylimino(triphenyl)-λ5-phosphane
SMILESCCCCCCC(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32NP/c1-3-4-5-9-16-23(2)27-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-23H,3-5,9,16H2,1-2H3
InChIKeyVXYGDALDDMXAKS-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.52
Rot. Bonds9

About octan-2-ylimino(triphenyl)-λ5-phosphane

octan-2-ylimino(triphenyl)-λ5-phosphane (PubChem CID 134884290) has the molecular formula C26H32NP and a molecular weight of 389.52 g/mol. Its IUPAC name is octan-2-ylimino(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Nameoctan-2-ylimino(triphenyl)-λ5-phosphane
PubChem CID134884290
Molecular FormulaC26H32NP
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC Nameoctan-2-ylimino(triphenyl)-λ5-phosphane
SMILESCCCCCCC(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32NP/c1-3-4-5-9-16-23(2)27-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-23H,3-5,9,16H2,1-2H3
InChIKeyVXYGDALDDMXAKS-UHFFFAOYSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octan-2-ylimino(triphenyl)-λ5-phosphane?
The IUPAC name of octan-2-ylimino(triphenyl)-λ5-phosphane (CID 134884290) is octan-2-ylimino(triphenyl)-λ5-phosphane.
What is the SMILES notation for octan-2-ylimino(triphenyl)-λ5-phosphane?
The canonical SMILES for octan-2-ylimino(triphenyl)-λ5-phosphane is CCCCCCC(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of octan-2-ylimino(triphenyl)-λ5-phosphane?
The InChIKey is VXYGDALDDMXAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NP/c1-3-4-5-9-16-23(2)27-28(24-17-10-6-11-18-24,25-19-12-7-13-20-25)26-21-14-8-15-22-26/h6-8,10-15,17-23H,3-5,9,16H2,1-2H3.
What are the key properties of octan-2-ylimino(triphenyl)-λ5-phosphane?
octan-2-ylimino(triphenyl)-λ5-phosphane has a molecular weight of 389.52 g/mol, XLogP of 6.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-ylimino(triphenyl)-λ5-phosphane is sourced from PubChem (CID 134884290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).