1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride

C58H50Cl4N10O2Os2-2 — CID 3044407

IUPAC1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride
SMILESOC1(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CCC(O)(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Os+].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C38H34N6O2.2C10H8N2.4ClH.2Os/c45-37(25-27-9-5-13-33(41-27)35-17-7-15-31(43-35)29-11-1-3-23-39-29)19-21-38(46,22-20-37)26-28-10-6-14-34(42-28)36-18-8-16-32(44-36)30-12-2-4-24-40-30;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;/h1-18,23-24,45-46H,19-22,25-26H2;2*1-8H;4*1H;;/q;;;;;;;2*+1/p-4
InChIKeyJWDRMRHYZNUPLB-UHFFFAOYSA-J
MW1441.38 g/mol
LogP-1.16
Rot. Bonds10

About 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride

1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride (PubChem CID 3044407) has the molecular formula C58H50Cl4N10O2Os2-2 and a molecular weight of 1441.38 g/mol. Its IUPAC name is 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride.

Molecular Properties

Compound Name1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride
PubChem CID3044407
Molecular FormulaC58H50Cl4N10O2Os2-2
Molecular Weight1441.38 g/mol
Exact Mass1442.21
IUPAC Name1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride
SMILESOC1(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CCC(O)(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Os+].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C38H34N6O2.2C10H8N2.4ClH.2Os/c45-37(25-27-9-5-13-33(41-27)35-17-7-15-31(43-35)29-11-1-3-23-39-29)19-21-38(46,22-20-37)26-28-10-6-14-34(42-28)36-18-8-16-32(44-36)30-12-2-4-24-40-30;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;/h1-18,23-24,45-46H,19-22,25-26H2;2*1-8H;4*1H;;/q;;;;;;;2*+1/p-4
InChIKeyJWDRMRHYZNUPLB-UHFFFAOYSA-J
XLogP-1.16
TPSA169.36 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001441.38
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride?
The IUPAC name of 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride (CID 3044407) is 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride.
What is the SMILES notation for 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride?
The canonical SMILES for 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride is OC1(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CCC(O)(Cc2cccc(-c3cccc(-c4ccccn4)n3)n2)CC1.[Cl-].[Cl-].[Cl-].[Cl-].[Os+].[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride?
The InChIKey is JWDRMRHYZNUPLB-UHFFFAOYSA-J. The full InChI is InChI=1S/C38H34N6O2.2C10H8N2.4ClH.2Os/c45-37(25-27-9-5-13-33(41-27)35-17-7-15-31(43-35)29-11-1-3-23-39-29)19-21-38(46,22-20-37)26-28-10-6-14-34(42-28)36-18-8-16-32(44-36)30-12-2-4-24-40-30;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;/h1-18,23-24,45-46H,19-22,25-26H2;2*1-8H;4*1H;;/q;;;;;;;2*+1/p-4.
What are the key properties of 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride?
1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride has a molecular weight of 1441.38 g/mol, XLogP of -1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]cyclohexane-1,4-diol;bis(osmium(1+));bis(2-pyridin-2-ylpyridine);tetrachloride is sourced from PubChem (CID 3044407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).