[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine

C25H23N — CID 90836351

IUPAC[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(-c2ccccc2C2=C(C)C(C)=CC2C)ccc2ccccc12
InChIInChI=1S/C25H23N/c1-16-14-17(2)25(18(16)3)23-11-7-6-10-21(23)22-13-12-19-8-4-5-9-20(19)24(22)15-26/h4-15,17,26H,1-3H3/b26-15+
InChIKeyNXOCHTAAJDZQCQ-CVKSISIWSA-N
MW337.47 g/mol
LogP6.87
Rot. Bonds3

About [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine

[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine (PubChem CID 90836351) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
PubChem CID90836351
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(-c2ccccc2C2=C(C)C(C)=CC2C)ccc2ccccc12
InChIInChI=1S/C25H23N/c1-16-14-17(2)25(18(16)3)23-11-7-6-10-21(23)22-13-12-19-8-4-5-9-20(19)24(22)15-26/h4-15,17,26H,1-3H3/b26-15+
InChIKeyNXOCHTAAJDZQCQ-CVKSISIWSA-N
XLogP6.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
CID 23015278
[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 91058066
cyclohexyl-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 87493289
diphenyl-[1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]phosphane
CID 139996333
[2-[2-(9H-fluoren-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91218088
[3-[2-methyl-1-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)propan-2-yl]naphthalen-2-yl]methanimine
CID 91231049
[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91117522
N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 23015340
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
[2-(chloromethyl)phenanthren-1-yl]methanimine
CID 144673749
3-ethyl-1-methyl-1H-cyclopenta[a]naphthalene
CID 141344332
N-tert-butyl-1-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanimine
CID 23015400

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The IUPAC name of [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine (CID 90836351) is [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine.
What is the SMILES notation for [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The canonical SMILES for [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine is [H]/N=C/c1c(-c2ccccc2C2=C(C)C(C)=CC2C)ccc2ccccc12.
What is the InChIKey of [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The InChIKey is NXOCHTAAJDZQCQ-CVKSISIWSA-N. The full InChI is InChI=1S/C25H23N/c1-16-14-17(2)25(18(16)3)23-11-7-6-10-21(23)22-13-12-19-8-4-5-9-20(19)24(22)15-26/h4-15,17,26H,1-3H3/b26-15+.
What are the key properties of [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine has a molecular weight of 337.47 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine is sourced from PubChem (CID 90836351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).