methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate

C34H33NO2 — CID 164888116

IUPACmethyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C34H33NO2/c1-37-33(36)34(24-12-5-13-25-34)32(30-22-20-27(21-23-30)26-14-6-2-7-15-26)35-31(28-16-8-3-9-17-28)29-18-10-4-11-19-29/h2-4,6-11,14-23,32H,5,12-13,24-25H2,1H3
InChIKeyBEFZCJXIDDPBMM-UHFFFAOYSA-N
MW487.64 g/mol
LogP8.06
Rot. Bonds7

About methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate

methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate (PubChem CID 164888116) has the molecular formula C34H33NO2 and a molecular weight of 487.64 g/mol. Its IUPAC name is methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate
PubChem CID164888116
Molecular FormulaC34H33NO2
Molecular Weight487.64 g/mol
Exact Mass487.25
IUPAC Namemethyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCCC1
InChIInChI=1S/C34H33NO2/c1-37-33(36)34(24-12-5-13-25-34)32(30-22-20-27(21-23-30)26-14-6-2-7-15-26)35-31(28-16-8-3-9-17-28)29-18-10-4-11-19-29/h2-4,6-11,14-23,32H,5,12-13,24-25H2,1H3
InChIKeyBEFZCJXIDDPBMM-UHFFFAOYSA-N
XLogP8.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-((diphenylmethylene)amino)-3-methyl-3-phenyl-2-(4-(trifluoromethyl)phenyl)butanoate
CID 162639856
Methyl 3-((diphenylmethylene)amino)-3-(4-(trifluoromethyl)phenyl)propanoate
CID 164888032
Tert-butyl 2-(benzhydrylideneamino)-3-(4-phenylphenyl)propanoate
CID 88934752
Methyl 3-((diphenylmethylene)amino)-3,3-diphenylpropanoate
CID 164888086
Methyl 3-[bis(4-methylphenyl)methylideneamino]-3-(4-fluorophenyl)propanoate
CID 165177406
Ethyl 3-(benzhydrylideneamino)-3-(4-fluorophenyl)-3-phenylpropanoate
CID 166517419
Methyl 2-(benzhydrylideneamino)-2-(4-methylphenyl)acetate
CID 14591097
tert-butyl (2S)-2-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 15551764
methyl (3R,4R)-4-(benzhydrylideneamino)-2-methylidene-3,4-diphenylbutanoate
CID 102338654
Tert-butyl 2-(benzhydrylideneamino)-3-(4-tert-butylphenyl)propanoate
CID 134972039
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3S)-3-isocyanato-2,2,3-triphenylpropanoate
CID 139037267
9-(4-Methyl-benzylidene)-4,8-diphenyl-6-p-tolyl-2-oxa-3,7-diazaspiro[4.4]nona-3,7-dien-1-one
CID 139064824

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate (CID 164888116) is methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate is COC(=O)C1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCCC1.
What is the InChIKey of methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate?
The InChIKey is BEFZCJXIDDPBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO2/c1-37-33(36)34(24-12-5-13-25-34)32(30-22-20-27(21-23-30)26-14-6-2-7-15-26)35-31(28-16-8-3-9-17-28)29-18-10-4-11-19-29/h2-4,6-11,14-23,32H,5,12-13,24-25H2,1H3.
What are the key properties of methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate?
methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate has a molecular weight of 487.64 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(benzhydrylideneamino)-(4-phenylphenyl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 164888116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).