[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine

C25H29N — CID 87493418

IUPAC[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine
SMILES[H]/N=C(/c1ccccc1C1=C(C)C(C)=C(C)C1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C25H29N/c1-14-12-13-21(18(5)15(14)2)25(26)23-11-9-8-10-22(23)24-19(6)16(3)17(4)20(24)7/h8-13,19,26H,1-7H3/b26-25+
InChIKeyROHNWKMRJRJOBX-OCEACIFDSA-N
MW343.51 g/mol
LogP6.79
Rot. Bonds3

About [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine

[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine (PubChem CID 87493418) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine.

Molecular Properties

Compound Name[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine
PubChem CID87493418
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine
SMILES[H]/N=C(/c1ccccc1C1=C(C)C(C)=C(C)C1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C25H29N/c1-14-12-13-21(18(5)15(14)2)25(26)23-11-9-8-10-22(23)24-19(6)16(3)17(4)20(24)7/h8-13,19,26H,1-7H3/b26-25+
InChIKeyROHNWKMRJRJOBX-OCEACIFDSA-N
XLogP6.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
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 [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine?
The IUPAC name of [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine (CID 87493418) is [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine.
What is the SMILES notation for [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine?
The canonical SMILES for [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine is [H]/N=C(/c1ccccc1C1=C(C)C(C)=C(C)C1C)c1ccc(C)c(C)c1C.
What is the InChIKey of [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine?
The InChIKey is ROHNWKMRJRJOBX-OCEACIFDSA-N. The full InChI is InChI=1S/C25H29N/c1-14-12-13-21(18(5)15(14)2)25(26)23-11-9-8-10-22(23)24-19(6)16(3)17(4)20(24)7/h8-13,19,26H,1-7H3/b26-25+.
What are the key properties of [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine?
[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine has a molecular weight of 343.51 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]-(2,3,4-trimethylphenyl)methanimine is sourced from PubChem (CID 87493418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).