2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one

C32H29NO2 — CID 135526298

IUPAC2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one
SMILESO=C1CC(c2ccccc2)C/C(=N\CCc2ccccc2)C1=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C32H29NO2/c34-30(21-26-16-9-15-25-14-7-8-17-28(25)26)32-29(33-19-18-23-10-3-1-4-11-23)20-27(22-31(32)35)24-12-5-2-6-13-24/h1-17,27,34H,18-22H2/b32-30?,33-29+
InChIKeyGSPAJBCCEFRLDJ-MVLDXYDCSA-N
MW459.59 g/mol
LogP7.02
Rot. Bonds6

About 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one

2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one (PubChem CID 135526298) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one
PubChem CID135526298
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one
SMILESO=C1CC(c2ccccc2)C/C(=N\CCc2ccccc2)C1=C(O)Cc1cccc2ccccc12
InChIInChI=1S/C32H29NO2/c34-30(21-26-16-9-15-25-14-7-8-17-28(25)26)32-29(33-19-18-23-10-3-1-4-11-23)20-27(22-31(32)35)24-12-5-2-6-13-24/h1-17,27,34H,18-22H2/b32-30?,33-29+
InChIKeyGSPAJBCCEFRLDJ-MVLDXYDCSA-N
XLogP7.02
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-Hydroxypropan-2-yl)-8-methyl-3,4-bis(2-phenylethylimino)phenanthren-1-one
CID 91499870
2-(1-hydroxypropan-2-yl)-8,8-dimethyl-3,4-bis(2-phenylethylimino)-6,7-dihydro-5H-phenanthren-1-one
CID 91569332
5-Anthracen-9-yl-2-(tert-butyliminomethyl)-3-hydroxycyclohex-2-en-1-one
CID 146438212
(2S)-2-[(3,3-dimethyl-10-oxo-2,4-dihydro-1H-phenanthren-9-ylidene)amino]-3-naphthalen-1-ylpropanoic acid
CID 175461377
2-[(3,3-dimethyl-10-oxo-2,4-dihydro-1H-phenanthren-9-ylidene)amino]-3-naphthalen-1-ylpropanoic acid
CID 175461382
(Z)-4-[2-[[(Z)-4-hydroxy-1,5-dinaphthalen-1-ylpent-3-en-2-ylidene]amino]ethylimino]-1,5-dinaphthalen-1-ylpent-2-en-2-ol;nickel(2+)
CID 135480457
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-methyliminocyclohexan-1-one
CID 135526122
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-prop-2-enyliminocyclohexan-1-one
CID 135526129
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-propyliminocyclohexan-1-one
CID 135526130
3-Butylimino-2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethylcyclohexan-1-one
CID 135526131
2-(1-Hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethyl-3-propan-2-yliminocyclohexan-1-one
CID 135526132
3-Hexylimino-2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5,5-dimethylcyclohexan-1-one
CID 135526133

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one?
The IUPAC name of 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one (CID 135526298) is 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one is O=C1CC(c2ccccc2)C/C(=N\CCc2ccccc2)C1=C(O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one?
The InChIKey is GSPAJBCCEFRLDJ-MVLDXYDCSA-N. The full InChI is InChI=1S/C32H29NO2/c34-30(21-26-16-9-15-25-14-7-8-17-28(25)26)32-29(33-19-18-23-10-3-1-4-11-23)20-27(22-31(32)35)24-12-5-2-6-13-24/h1-17,27,34H,18-22H2/b32-30?,33-29+.
What are the key properties of 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one?
2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one has a molecular weight of 459.59 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-naphthalen-1-ylethylidene)-5-phenyl-3-(2-phenylethylimino)cyclohexan-1-one is sourced from PubChem (CID 135526298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).