5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine

C42H72N2S2 — CID 102492089

IUPAC5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine
SMILESCC(C)C(C(C)C)C(SCc1ccc(-c2ccc(CSC(C(C(C)C)C(C)C)C(C(C)C)C(C)C)cn2)nc1)C(C(C)C)C(C)C
InChIInChI=1S/C42H72N2S2/c1-25(2)37(26(3)4)41(38(27(5)6)28(7)8)45-23-33-17-19-35(43-21-33)36-20-18-34(22-44-36)24-46-42(39(29(9)10)30(11)12)40(31(13)14)32(15)16/h17-22,25-32,37-42H,23-24H2,1-16H3
InChIKeyJWMMYHFULHFZIE-UHFFFAOYSA-N
MW669.19 g/mol
LogP13.06
Rot. Bonds19

About 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine

5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine (PubChem CID 102492089) has the molecular formula C42H72N2S2 and a molecular weight of 669.19 g/mol. Its IUPAC name is 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine
PubChem CID102492089
Molecular FormulaC42H72N2S2
Molecular Weight669.19 g/mol
Exact Mass668.51
IUPAC Name5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine
SMILESCC(C)C(C(C)C)C(SCc1ccc(-c2ccc(CSC(C(C(C)C)C(C)C)C(C(C)C)C(C)C)cn2)nc1)C(C(C)C)C(C)C
InChIInChI=1S/C42H72N2S2/c1-25(2)37(26(3)4)41(38(27(5)6)28(7)8)45-23-33-17-19-35(43-21-33)36-20-18-34(22-44-36)24-46-42(39(29(9)10)30(11)12)40(31(13)14)32(15)16/h17-22,25-32,37-42H,23-24H2,1-16H3
InChIKeyJWMMYHFULHFZIE-UHFFFAOYSA-N
XLogP13.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.19
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-5-(propan-2-ylsulfanylmethyl)pyridine
CID 158668941
5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62187525
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
[6-(trifluoromethyl)-3-pyridinyl]methylsulfanylmethanediamine
CID 162587407
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
5-(2-methylpropyl)-2-(2-methyltriazol-4-yl)pyridine
CID 138622767
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
9-[[6-[5-(carbazol-9-ylmethyl)-2-pyridinyl]-3-pyridinyl]methyl]carbazole
CID 118352521
2,6-bis[5-(methoxymethyl)-2-pyridinyl]pyridine
CID 59779226
2-methyl-6-[5-[2-[6-(6-methyl-2-pyridinyl)-3-pyridinyl]ethyl]-2-pyridinyl]pyridine
CID 101128259
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973

Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The IUPAC name of 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine (CID 102492089) is 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine.
What is the SMILES notation for 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The canonical SMILES for 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine is CC(C)C(C(C)C)C(SCc1ccc(-c2ccc(CSC(C(C(C)C)C(C)C)C(C(C)C)C(C)C)cn2)nc1)C(C(C)C)C(C)C.
What is the InChIKey of 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
The InChIKey is JWMMYHFULHFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H72N2S2/c1-25(2)37(26(3)4)41(38(27(5)6)28(7)8)45-23-33-17-19-35(43-21-33)36-20-18-34(22-44-36)24-46-42(39(29(9)10)30(11)12)40(31(13)14)32(15)16/h17-22,25-32,37-42H,23-24H2,1-16H3.
What are the key properties of 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine?
5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine has a molecular weight of 669.19 g/mol, XLogP of 13.06, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-[5-[[2,6-dimethyl-3,5-di(propan-2-yl)heptan-4-yl]sulfanylmethyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 102492089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).