(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine

C34H25N — CID 118267426

IUPAC(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine
SMILESC/C=c1/cccc/c1=C/C=N/c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H25N/c1-2-24-12-3-4-13-25(24)22-23-35-34-31-19-9-7-17-29(31)33(30-18-8-10-20-32(30)34)28-21-11-15-26-14-5-6-16-27(26)28/h2-23H,1H3/b24-2-,25-22-,35-23+
InChIKeyDARIPCGSANCDHU-HQOGQZKISA-N
MW447.58 g/mol
LogP7.80
Rot. Bonds3

About (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine

(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine (PubChem CID 118267426) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine
PubChem CID118267426
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine
SMILESC/C=c1/cccc/c1=C/C=N/c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C34H25N/c1-2-24-12-3-4-13-25(24)22-23-35-34-31-19-9-7-17-29(31)33(30-18-8-10-20-32(30)34)28-21-11-15-26-14-5-6-16-27(26)28/h2-23H,1H3/b24-2-,25-22-,35-23+
InChIKeyDARIPCGSANCDHU-HQOGQZKISA-N
XLogP7.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine?
The IUPAC name of (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine (CID 118267426) is (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine.
What is the SMILES notation for (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine?
The canonical SMILES for (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine is C/C=c1/cccc/c1=C/C=N/c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine?
The InChIKey is DARIPCGSANCDHU-HQOGQZKISA-N. The full InChI is InChI=1S/C34H25N/c1-2-24-12-3-4-13-25(24)22-23-35-34-31-19-9-7-17-29(31)33(30-18-8-10-20-32(30)34)28-21-11-15-26-14-5-6-16-27(26)28/h2-23H,1H3/b24-2-,25-22-,35-23+.
What are the key properties of (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine?
(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine has a molecular weight of 447.58 g/mol, XLogP of 7.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]-N-(10-naphthalen-1-ylanthracen-9-yl)ethanimine is sourced from PubChem (CID 118267426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).