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

C32H42N2O2 — CID 22294310

IUPAC1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol
SMILESOC1(C2CCCc3nc4c(cc32)CCCC4)CCC(O)(C2CCCc3nc4c(cc32)CCCC4)CC1
InChIInChI=1S/C32H42N2O2/c35-31(25-9-5-13-29-23(25)19-21-7-1-3-11-27(21)33-29)15-17-32(36,18-16-31)26-10-6-14-30-24(26)20-22-8-2-4-12-28(22)34-30/h19-20,25-26,35-36H,1-18H2
InChIKeyAMXOQCBECWYLJD-UHFFFAOYSA-N
MW486.70 g/mol
LogP5.81
Rot. Bonds2

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

1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol (PubChem CID 22294310) 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-1-yl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol
PubChem CID22294310
Molecular FormulaC32H42N2O2
Molecular Weight486.70 g/mol
Exact Mass486.32
IUPAC Name1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol
SMILESOC1(C2CCCc3nc4c(cc32)CCCC4)CCC(O)(C2CCCc3nc4c(cc32)CCCC4)CC1
InChIInChI=1S/C32H42N2O2/c35-31(25-9-5-13-29-23(25)19-21-7-1-3-11-27(21)33-29)15-17-32(36,18-16-31)26-10-6-14-30-24(26)20-22-8-2-4-12-28(22)34-30/h19-20,25-26,35-36H,1-18H2
InChIKeyAMXOQCBECWYLJD-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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol?
The IUPAC name of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol (CID 22294310) is 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol.
What is the SMILES notation for 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol?
The canonical SMILES for 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol is OC1(C2CCCc3nc4c(cc32)CCCC4)CCC(O)(C2CCCc3nc4c(cc32)CCCC4)CC1.
What is the InChIKey of 1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-yl)cyclohexane-1,4-diol?
The InChIKey is AMXOQCBECWYLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O2/c35-31(25-9-5-13-29-23(25)19-21-7-1-3-11-27(21)33-29)15-17-32(36,18-16-31)26-10-6-14-30-24(26)20-22-8-2-4-12-28(22)34-30/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-1-yl)cyclohexane-1,4-diol?
1,4-bis(1,2,3,4,5,6,7,8-octahydroacridin-1-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-1-yl)cyclohexane-1,4-diol is sourced from PubChem (CID 22294310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).