3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine

C34H34N2 — CID 140654314

IUPAC3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine
SMILESCC1(C)CCC(C)(C)C(=N\c2ccccc2-c2ccccc2)/C1=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C34H34N2/c1-33(2)23-24-34(3,4)32(36-30-22-14-12-20-28(30)26-17-9-6-10-18-26)31(33)35-29-21-13-11-19-27(29)25-15-7-5-8-16-25/h5-22H,23-24H2,1-4H3/b35-31-,36-32-
InChIKeyOEIVZSBZSFZEPN-XGHKFRFXSA-N
MW470.66 g/mol
LogP9.71
Rot. Bonds4

About 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine

3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine (PubChem CID 140654314) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine
PubChem CID140654314
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine
SMILESCC1(C)CCC(C)(C)C(=N\c2ccccc2-c2ccccc2)/C1=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C34H34N2/c1-33(2)23-24-34(3,4)32(36-30-22-14-12-20-28(30)26-17-9-6-10-18-26)31(33)35-29-21-13-11-19-27(29)25-15-7-5-8-16-25/h5-22H,23-24H2,1-4H3/b35-31-,36-32-
InChIKeyOEIVZSBZSFZEPN-XGHKFRFXSA-N
XLogP9.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine
CID 140654331
1,3-dimethyl-N-(2-phenylphenyl)imidazolidin-2-imine
CID 54173339
1-isoselenocyanato-2-phenylbenzene
CID 155664094
1-N,2-N-bis(2-tert-butylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;1-N,2-N-bis[2,6-di(propan-2-yl)phenyl]-3,3,6,6-tetramethylcyclohexane-1,2-diimine;octakis(dichloronickel);3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-bis(4-phenylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-bis(2,4,6-trimethylphenyl)cyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-dinaphthalen-1-ylcyclohexane-1,2-diimine;3,3,6,6-tetramethyl-1-N,2-N-diphenylcyclohexane-1,2-diimine
CID 161438879
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
N-(2-phenylphenyl)propan-1-imine
CID 70437330
imino-(2-phenylphenyl)iminoazanium
CID 6334229
2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654018
1-N,2-N-bis(2,6-dimethylphenyl)-3,3,6,6-tetramethylcyclohexane-1,2-diimine;dichloronickel
CID 140654146
5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
CID 20701787

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine?
The IUPAC name of 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine (CID 140654314) is 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine?
The canonical SMILES for 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine is CC1(C)CCC(C)(C)C(=N\c2ccccc2-c2ccccc2)/C1=N/c1ccccc1-c1ccccc1.
What is the InChIKey of 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine?
The InChIKey is OEIVZSBZSFZEPN-XGHKFRFXSA-N. The full InChI is InChI=1S/C34H34N2/c1-33(2)23-24-34(3,4)32(36-30-22-14-12-20-28(30)26-17-9-6-10-18-26)31(33)35-29-21-13-11-19-27(29)25-15-7-5-8-16-25/h5-22H,23-24H2,1-4H3/b35-31-,36-32-.
What are the key properties of 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine?
3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine has a molecular weight of 470.66 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine is sourced from PubChem (CID 140654314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).