1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol

C32H42N2O2 — CID 604505

IUPAC1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol
SMILESOC1(C2CCCc3cc4c(nc32)CCCC4)CCC(O)(C2CCCc3cc4c(nc32)CCCC4)CC1
InChIInChI=1S/C32H42N2O2/c35-31(25-11-5-9-23-19-21-7-1-3-13-27(21)33-29(23)25)15-17-32(36,18-16-31)26-12-6-10-24-20-22-8-2-4-14-28(22)34-30(24)26/h19-20,25-26,35-36H,1-18H2
InChIKeyNBDHPPRBNCENNQ-UHFFFAOYSA-N
MW486.70 g/mol
LogP5.81
Rot. Bonds2

About 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol

1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol (PubChem CID 604505) has the molecular formula C32H42N2O2 and a molecular weight of 486.70 g/mol. Its IUPAC name is 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol
PubChem CID604505
Molecular FormulaC32H42N2O2
Molecular Weight486.70 g/mol
Exact Mass486.32
IUPAC Name1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol
SMILESOC1(C2CCCc3cc4c(nc32)CCCC4)CCC(O)(C2CCCc3cc4c(nc32)CCCC4)CC1
InChIInChI=1S/C32H42N2O2/c35-31(25-11-5-9-23-19-21-7-1-3-13-27(21)33-29(23)25)15-17-32(36,18-16-31)26-12-6-10-24-20-22-8-2-4-14-28(22)34-30(24)26/h19-20,25-26,35-36H,1-18H2
InChIKeyNBDHPPRBNCENNQ-UHFFFAOYSA-N
XLogP5.81
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol with MolForge

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Launch Full Analysis

Related Compounds

2-[[6-[(2-Hydroxy-2-adamantyl)methyl]-2-pyridinyl]methyl]adamantan-2-ol
CID 11373167
2-[(1R,8S,9R)-5-[(1R,8S,9R)-8-(2-hydroxypropan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]propan-2-ol
CID 54756850
2-(6-Methyl-2-pyridyl)-1,1-diphenylethanol
CID 139075224
Ethane;4-[(2-ethylquinolin-3-yl)-phenylmethyl]-1-[(4-methylphenyl)methyl]piperidin-4-ol
CID 158528576
2-[(2-Hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
CID 10740177
1,4-Bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol
CID 22294310
2-[(1S,8R,9S)-5-[2-[(1S,8R,9S)-8-(2-hydroxypropan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]propan-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]propan-2-ol
CID 102140114
[(1S,8R,9S)-5-[2-[(1S,8R,9S)-8-[hydroxy(diphenyl)methyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]propan-2-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]-diphenylmethanol
CID 102140115
2-[(1S,8R,9S)-5-[(1S,8R,9S)-8-(2-hydroxypropan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-yl]propan-2-ol
CID 132513676
1,1-Dicyclohexyl-2-[6-(2,2-dicyclohexyl-2-hydroxyethyl)-2-pyridinyl]ethanol
CID 132936763
1,2,3,4,5,6,7,8-Octahydro-I+/--methyl-I+/--phenyl-4-acridinemethanol
CID 165351995

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol?
The IUPAC name of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol (CID 604505) is 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol.
What is the SMILES notation for 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol?
The canonical SMILES for 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol is OC1(C2CCCc3cc4c(nc32)CCCC4)CCC(O)(C2CCCc3cc4c(nc32)CCCC4)CC1.
What is the InChIKey of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol?
The InChIKey is NBDHPPRBNCENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O2/c35-31(25-11-5-9-23-19-21-7-1-3-13-27(21)33-29(23)25)15-17-32(36,18-16-31)26-12-6-10-24-20-22-8-2-4-14-28(22)34-30(24)26/h19-20,25-26,35-36H,1-18H2.
What are the key properties of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol?
1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol has a molecular weight of 486.70 g/mol, XLogP of 5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-4-yl)cyclohexane-1,4-diol is sourced from PubChem (CID 604505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).