[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone

C33H31NO2 — CID 3285037

IUPAC[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=CC(O)(c3ccccc3)C2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H31NO2/c1-34(2)29-20-18-25(19-21-29)30-22-27(24-12-6-3-7-13-24)23-33(36,28-16-10-5-11-17-28)31(30)32(35)26-14-8-4-9-15-26/h3-21,23,30-31,36H,22H2,1-2H3
InChIKeyAGKGTKLNZNOLMA-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.71
Rot. Bonds6

About [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone

[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone (PubChem CID 3285037) has the molecular formula C33H31NO2 and a molecular weight of 473.62 g/mol. Its IUPAC name is [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone
PubChem CID3285037
Molecular FormulaC33H31NO2
Molecular Weight473.62 g/mol
Exact Mass473.24
IUPAC Name[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=CC(O)(c3ccccc3)C2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H31NO2/c1-34(2)29-20-18-25(19-21-29)30-22-27(24-12-6-3-7-13-24)23-33(36,28-16-10-5-11-17-28)31(30)32(35)26-14-8-4-9-15-26/h3-21,23,30-31,36H,22H2,1-2H3
InChIKeyAGKGTKLNZNOLMA-UHFFFAOYSA-N
XLogP6.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone?
The IUPAC name of [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone (CID 3285037) is [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone.
What is the SMILES notation for [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone?
The canonical SMILES for [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone is CN(C)c1ccc(C2CC(c3ccccc3)=CC(O)(c3ccccc3)C2C(=O)c2ccccc2)cc1.
What is the InChIKey of [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone?
The InChIKey is AGKGTKLNZNOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO2/c1-34(2)29-20-18-25(19-21-29)30-22-27(24-12-6-3-7-13-24)23-33(36,28-16-10-5-11-17-28)31(30)32(35)26-14-8-4-9-15-26/h3-21,23,30-31,36H,22H2,1-2H3.
What are the key properties of [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone?
[6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone has a molecular weight of 473.62 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)phenyl]-2-hydroxy-2,4-diphenylcyclohex-3-en-1-yl]-phenylmethanone is sourced from PubChem (CID 3285037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).