N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine

C42H57N3 — CID 91597263

IUPACN-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine
SMILESC/C(=N\C1CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)C1)c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C42H57N3/c1-22-16-40(31(10)28(7)25(22)4)34(13)43-37-19-38(44-35(14)41-17-23(2)26(5)29(8)32(41)11)21-39(20-37)45-36(15)42-18-24(3)27(6)30(9)33(42)12/h16-18,37-39H,19-21H2,1-15H3/b43-34+,44-35+,45-36+
InChIKeyYVRCYHIFGHFJDZ-ZCRZHHRBSA-N
MW603.94 g/mol
LogP10.50
Rot. Bonds6

About N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine

N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine (PubChem CID 91597263) has the molecular formula C42H57N3 and a molecular weight of 603.94 g/mol. Its IUPAC name is N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine.

Molecular Properties

Compound NameN-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine
PubChem CID91597263
Molecular FormulaC42H57N3
Molecular Weight603.94 g/mol
Exact Mass603.46
IUPAC NameN-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine
SMILESC/C(=N\C1CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)C1)c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C42H57N3/c1-22-16-40(31(10)28(7)25(22)4)34(13)43-37-19-38(44-35(14)41-17-23(2)26(5)29(8)32(41)11)21-39(20-37)45-36(15)42-18-24(3)27(6)30(9)33(42)12/h16-18,37-39H,19-21H2,1-15H3/b43-34+,44-35+,45-36+
InChIKeyYVRCYHIFGHFJDZ-ZCRZHHRBSA-N
XLogP10.50
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.94
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614091
3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103
1-[2-(2,4-Dimethylphenyl)ethyl]-3,4-dihydroisoquinoline hydrochloride
CID 85887132
N-[(1S,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylideneamino]ethyl]-1-(2,4,6-trimethylphenyl)methanimine
CID 12181686
1,2-Di(2,4,6-trimethylbenzylideneamino)-1,2-diphenylethane
CID 18988850
1-(2,4,6-trimethylphenyl)-N-[2-[(2,4,6-trimethylphenyl)methylideneamino]cyclohexyl]methanimine
CID 21337637
N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]-1-[2-(2,2,2-trifluoroethyl)phenyl]ethanimine
CID 89191298
1-(2-ethyl-5-fluorophenyl)-N-[2-[3-methyl-4-(2-methylphenyl)phenyl]prop-2-enyl]ethanimine
CID 89191325
6-[4-[2-[2-Fluoro-3-[2-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-2,3,4,5-tetrahydropyridine
CID 161145186
1-Benzyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
CID 174918344
9a,10,11,12,13,13a-Hexahydrophenanthro[9,10-b]quinoxaline
CID 10469249
N-benzhydryl-2,2-bis(2,3,4,5,6-pentamethylphenyl)ethenimine
CID 15721081

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine?
The IUPAC name of N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine (CID 91597263) is N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine.
What is the SMILES notation for N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine?
The canonical SMILES for N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine is C/C(=N\C1CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)CC(/N=C(\C)c2cc(C)c(C)c(C)c2C)C1)c1cc(C)c(C)c(C)c1C.
What is the InChIKey of N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine?
The InChIKey is YVRCYHIFGHFJDZ-ZCRZHHRBSA-N. The full InChI is InChI=1S/C42H57N3/c1-22-16-40(31(10)28(7)25(22)4)34(13)43-37-19-38(44-35(14)41-17-23(2)26(5)29(8)32(41)11)21-39(20-37)45-36(15)42-18-24(3)27(6)30(9)33(42)12/h16-18,37-39H,19-21H2,1-15H3/b43-34+,44-35+,45-36+.
What are the key properties of N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine?
N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine has a molecular weight of 603.94 g/mol, XLogP of 10.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[1-(2,3,4,5-tetramethylphenyl)ethylideneamino]cyclohexyl]-1-(2,3,4,5-tetramethylphenyl)ethanimine is sourced from PubChem (CID 91597263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).