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

C27H24N2 — CID 144816247

IUPAC[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
SMILES[H]/N=C(\C1=CC(C)(C)C=C1N=C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C27H24N2/c1-27(2)17-24(25(18-27)29-3)26(28)23-15-21(19-10-6-4-7-11-19)14-22(16-23)20-12-8-5-9-13-20/h4-18,28H,3H2,1-2H3/b28-26-
InChIKeyKKGXICNXHJKCAI-SGEDCAFJSA-N
MW376.50 g/mol
LogP6.94
Rot. Bonds5

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

[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine (PubChem CID 144816247) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine.

Molecular Properties

Compound Name[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
PubChem CID144816247
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
SMILES[H]/N=C(\C1=CC(C)(C)C=C1N=C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C27H24N2/c1-27(2)17-24(25(18-27)29-3)26(28)23-15-21(19-10-6-4-7-11-19)14-22(16-23)20-12-8-5-9-13-20/h4-18,28H,3H2,1-2H3/b28-26-
InChIKeyKKGXICNXHJKCAI-SGEDCAFJSA-N
XLogP6.94
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.94
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
N-[(3,5-diphenylphenyl)-(methylamino)methylidene]-3,5-diphenylbenzenecarboximidamide
CID 137285198
(3,5-diphenylphenyl)-[4-(methylideneamino)thiophen-3-yl]methanimine;10-methyl-3-phenylpyrrolo[3,2-a]carbazole
CID 144816202
N'-(3,5-diphenylbenzenecarboximidoyl)carbamimidoyl chloride
CID 156530281
ethane;1,3,5-triphenylbenzene
CID 142123051
3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
[3,3-dimethyl-2-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3-naphthalen-1-ylphenyl)methanimine
CID 144816205
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
(2Z)-1-(3-methyl-5-phenylphenyl)penta-2,4-dien-1-imine
CID 144968069

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine?
The IUPAC name of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine (CID 144816247) is [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine.
What is the SMILES notation for [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine?
The canonical SMILES for [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine is [H]/N=C(\C1=CC(C)(C)C=C1N=C)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine?
The InChIKey is KKGXICNXHJKCAI-SGEDCAFJSA-N. The full InChI is InChI=1S/C27H24N2/c1-27(2)17-24(25(18-27)29-3)26(28)23-15-21(19-10-6-4-7-11-19)14-22(16-23)20-12-8-5-9-13-20/h4-18,28H,3H2,1-2H3/b28-26-.
What are the key properties of [3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine?
[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine has a molecular weight of 376.50 g/mol, XLogP of 6.94, 5 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]-(3,5-diphenylphenyl)methanimine is sourced from PubChem (CID 144816247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).