1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine

C25H23N — CID 154426377

IUPAC1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C=CC=C3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C25H23N/c1-17-14-18(2)25(19(3)15-17)26-16-24-22-11-7-6-10-21(22)12-13-23(24)20-8-4-5-9-20/h4-16,20H,1-3H3/b26-16+
InChIKeyOGEFUAIXHAFMRF-WGOQTCKBSA-N
MW337.47 g/mol
LogP6.73
Rot. Bonds3

About 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine

1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 154426377) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID154426377
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C=CC=C3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C25H23N/c1-17-14-18(2)25(19(3)15-17)26-16-24-22-11-7-6-10-21(22)12-13-23(24)20-8-4-5-9-20/h4-16,20H,1-3H3/b26-16+
InChIKeyOGEFUAIXHAFMRF-WGOQTCKBSA-N
XLogP6.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.73
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 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine (CID 154426377) is 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2c(C3C=CC=C3)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is OGEFUAIXHAFMRF-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H23N/c1-17-14-18(2)25(19(3)15-17)26-16-24-22-11-7-6-10-21(22)12-13-23(24)20-8-4-5-9-20/h4-16,20H,1-3H3/b26-16+.
What are the key properties of 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine?
1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 337.47 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 154426377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).