4-benzhydrylidenecyclohexa-2,5-dien-1-imine

C19H15N — CID 67679531

IUPAC4-benzhydrylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C19H15N/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H
InChIKeyDLHLTBXQLMKKLG-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.63
Rot. Bonds2

About 4-benzhydrylidenecyclohexa-2,5-dien-1-imine

4-benzhydrylidenecyclohexa-2,5-dien-1-imine (PubChem CID 67679531) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-benzhydrylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-benzhydrylidenecyclohexa-2,5-dien-1-imine
PubChem CID67679531
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name4-benzhydrylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C19H15N/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H
InChIKeyDLHLTBXQLMKKLG-UHFFFAOYSA-N
XLogP4.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
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 4-benzhydrylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-benzhydrylidenecyclohexa-2,5-dien-1-imine (CID 67679531) is 4-benzhydrylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-benzhydrylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-benzhydrylidenecyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=C(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of 4-benzhydrylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is DLHLTBXQLMKKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H.
What are the key properties of 4-benzhydrylidenecyclohexa-2,5-dien-1-imine?
4-benzhydrylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 257.34 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 67679531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).