N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine

C19H17N — CID 175731651

IUPACN-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
SMILESC1=CC(N=C(c2ccccc2)c2ccccc2)=CCC1
InChIInChI=1S/C19H17N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-8,10-15H,3,9H2
InChIKeyILCAOQCSQVMKQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.76
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine

N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine (PubChem CID 175731651) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
PubChem CID175731651
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
SMILESC1=CC(N=C(c2ccccc2)c2ccccc2)=CCC1
InChIInChI=1S/C19H17N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-8,10-15H,3,9H2
InChIKeyILCAOQCSQVMKQV-UHFFFAOYSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine (CID 175731651) is N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine is C1=CC(N=C(c2ccccc2)c2ccccc2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine?
The InChIKey is ILCAOQCSQVMKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1-2,4-8,10-15H,3,9H2.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine?
N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine has a molecular weight of 259.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine is sourced from PubChem (CID 175731651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).