trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]

C30H42S3 — CID 5232434

IUPAC—
SMILESC1C2CC3CC1CC(C2)C31SC2(SC3(S1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C30H42S3/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-29(24-8-18-2-19(10-24)11-25(29)9-18)33-30(32-28)26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2
InChIKeyZKMFUROXBIUBCO-UHFFFAOYSA-N
MW498.87 g/mol
LogP8.66
Rot. Bonds

About trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]

trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] (PubChem CID 5232434) has the molecular formula C30H42S3 and a molecular weight of 498.87 g/mol.

Molecular Properties

Compound Nametrispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]
PubChem CID5232434
Molecular FormulaC30H42S3
Molecular Weight498.87 g/mol
Exact Mass498.24
IUPAC Name—
SMILESC1C2CC3CC1CC(C2)C31SC2(SC3(S1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C30H42S3/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-29(24-8-18-2-19(10-24)11-25(29)9-18)33-30(32-28)26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2
InChIKeyZKMFUROXBIUBCO-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.87
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] with MolForge

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Related Compounds

Dispiro[1,3-dithietane-2,2':4,2''-diadamantane]
CID 5232433
Spiro[1,3-dithiane-2,2'-adamantane]
CID 12927839
Dispiro[adamantane-2,3'-[1,2,4]-trithiolane-5',2''-adamantane]
CID 1719069
2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane
CID 139058872
1-(1-Adamantylsulfanylmethylsulfanyl)adamantane
CID 59872405
5-Methylspiro[1,3-dithiane-2,2'-adamantane]
CID 89114753
1,3-Bis(1-adamantylsulfanyl)adamantane
CID 172123034
1,3,5-Tris(1-adamantylsulfanyl)adamantane
CID 172123114
1-[2-(1-Adamantylsulfanyl)ethylsulfanyl]adamantane
CID 172738177
Hexakis(1-adamantyl)-lambda6-sulfane
CID 175326433
2-(2-Adamantylsulfanyl)adamantane
CID 14367454
1-[3-(1-Adamantylsulfanyl)propylsulfanyl]adamantane
CID 101381740

Frequently Asked Questions

What is the IUPAC name of trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]?
The IUPAC name of trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] (CID 5232434) is not available.
What is the SMILES notation for trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]?
The canonical SMILES for trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] is C1C2CC3CC1CC(C2)C31SC2(SC3(S1)C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3.
What is the InChIKey of trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]?
The InChIKey is ZKMFUROXBIUBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42S3/c1-16-4-22-6-17(1)7-23(5-16)28(22)31-29(24-8-18-2-19(10-24)11-25(29)9-18)33-30(32-28)26-12-20-3-21(14-26)15-27(30)13-20/h16-27H,1-15H2.
What are the key properties of trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane]?
trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] has a molecular weight of 498.87 g/mol, XLogP of 8.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trispiro[1,3,5-trithiane-2,2':4,2'':6,2'''-triadamantane] is sourced from PubChem (CID 5232434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).