N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine

C19H16NOP — CID 15260741

IUPACN-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine
SMILESO=P(N=c1cccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c21-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20-17-11-5-1-2-6-12-17/h1-16H
InChIKeyQPAFWEJKXGRXNF-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.52
Rot. Bonds3

About N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine

N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine (PubChem CID 15260741) has the molecular formula C19H16NOP and a molecular weight of 305.32 g/mol. Its IUPAC name is N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound NameN-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine
PubChem CID15260741
Molecular FormulaC19H16NOP
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine
SMILESO=P(N=c1cccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16NOP/c21-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20-17-11-5-1-2-6-12-17/h1-16H
InChIKeyQPAFWEJKXGRXNF-UHFFFAOYSA-N
XLogP3.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
CID 11057088
diphenylphosphorylbenzene;terbium
CID 86595283
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
phenylphosphonamidic acid
CID 18388605
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205
O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150
[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
amino(diphenylphosphoryl)azanium
CID 173419244
diphenylphosphorylazanide
CID 18705552
(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine
CID 10782437
(E)-N-diphenylphosphoryl-1-naphthalen-1-ylmethanimine
CID 11382689
potassium;carbon monoxide;bis(diphenylphosphorylimino-oxido-diphenyl-λ5-phosphane);ruthenium(2+);chloride
CID 139127906

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine?
The IUPAC name of N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine (CID 15260741) is N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine is O=P(N=c1cccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine?
The InChIKey is QPAFWEJKXGRXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16NOP/c21-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)20-17-11-5-1-2-6-12-17/h1-16H.
What are the key properties of N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine?
N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine has a molecular weight of 305.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 15260741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).