[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine

C25H22N2 — CID 144816422

IUPAC[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine
SMILES[H]/N=C(\C1=CC(C)(C)C=C1N=C)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C25H22N2/c1-25(2)15-22(23(16-25)27-3)24(26)21-13-7-6-12-20(21)19-14-8-10-17-9-4-5-11-18(17)19/h4-16,26H,3H2,1-2H3/b26-24-
InChIKeyIIYKYDAUFQNJSX-LCUIJRPUSA-N
MW350.47 g/mol
LogP6.43
Rot. Bonds4

About [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine

[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine (PubChem CID 144816422) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine.

Molecular Properties

Compound Name[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine
PubChem CID144816422
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine
SMILES[H]/N=C(\C1=CC(C)(C)C=C1N=C)c1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C25H22N2/c1-25(2)15-22(23(16-25)27-3)24(26)21-13-7-6-12-20(21)19-14-8-10-17-9-4-5-11-18(17)19/h4-16,26H,3H2,1-2H3/b26-24-
InChIKeyIIYKYDAUFQNJSX-LCUIJRPUSA-N
XLogP6.43
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
CID 144816247
[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
CID 144816205
CID 18962032
CID 18962032
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
ethenyl 2-naphthalen-1-ylbenzoate
CID 67204463
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine?
The IUPAC name of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine (CID 144816422) is [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine.
What is the SMILES notation for [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine?
The canonical SMILES for [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine is [H]/N=C(\C1=CC(C)(C)C=C1N=C)c1ccccc1-c1cccc2ccccc12.
What is the InChIKey of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine?
The InChIKey is IIYKYDAUFQNJSX-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H22N2/c1-25(2)15-22(23(16-25)27-3)24(26)21-13-7-6-12-20(21)19-14-8-10-17-9-4-5-11-18(17)19/h4-16,26H,3H2,1-2H3/b26-24-.
What are the key properties of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine?
[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine has a molecular weight of 350.47 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(2-naphthalen-1-ylphenyl)methanimine is sourced from PubChem (CID 144816422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).