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

C25H22N2 — CID 144816205

IUPAC[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
SMILES[H]/N=C(/C1=C(N=C)C(C)(C)C=C1)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C25H22N2/c1-25(2)15-14-22(24(25)27-3)23(26)19-11-6-10-18(16-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-16,26H,3H2,1-2H3/b26-23+
InChIKeyBOMNSFYAYUFJKF-WNAAXNPUSA-N
MW350.47 g/mol
LogP6.43
Rot. Bonds4

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

[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine (PubChem CID 144816205) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine.

Molecular Properties

Compound Name[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
PubChem CID144816205
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
SMILES[H]/N=C(/C1=C(N=C)C(C)(C)C=C1)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C25H22N2/c1-25(2)15-14-22(24(25)27-3)23(26)19-11-6-10-18(16-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-16,26H,3H2,1-2H3/b26-23+
InChIKeyBOMNSFYAYUFJKF-WNAAXNPUSA-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]-(2-naphthalen-1-ylphenyl)methanimine
CID 144816422
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
CID 142319431
N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
CID 18945193
4-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777667
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine?
The IUPAC name of [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine (CID 144816205) is [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine.
What is the SMILES notation for [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine?
The canonical SMILES for [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine is [H]/N=C(/C1=C(N=C)C(C)(C)C=C1)c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine?
The InChIKey is BOMNSFYAYUFJKF-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H22N2/c1-25(2)15-14-22(24(25)27-3)23(26)19-11-6-10-18(16-19)21-13-7-9-17-8-4-5-12-20(17)21/h4-16,26H,3H2,1-2H3/b26-23+.
What are the key properties of [3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine?
[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-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-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine is sourced from PubChem (CID 144816205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).