1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene

C30H46S2 — CID 10917683

IUPAC1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
SMILESCC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C30H46S2/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12/h13-22H,1-12H3
InChIKeyZLOCUDMSUFOLGX-UHFFFAOYSA-N
MW470.83 g/mol
LogP11.23
Rot. Bonds9

About 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene

1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene (PubChem CID 10917683) has the molecular formula C30H46S2 and a molecular weight of 470.83 g/mol. Its IUPAC name is 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene.

Molecular Properties

Compound Name1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
PubChem CID10917683
Molecular FormulaC30H46S2
Molecular Weight470.83 g/mol
Exact Mass470.30
IUPAC Name1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene
SMILESCC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C30H46S2/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12/h13-22H,1-12H3
InChIKeyZLOCUDMSUFOLGX-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The IUPAC name of 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene (CID 10917683) is 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene.
What is the SMILES notation for 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The canonical SMILES for 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene is CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
The InChIKey is ZLOCUDMSUFOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46S2/c1-17(2)23-13-25(19(5)6)29(26(14-23)20(7)8)31-32-30-27(21(9)10)15-24(18(3)4)16-28(30)22(11)12/h13-22H,1-12H3.
What are the key properties of 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene?
1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene has a molecular weight of 470.83 g/mol, XLogP of 11.23, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tri(propan-2-yl)-2-[[2,4,6-tri(propan-2-yl)phenyl]disulfanyl]benzene is sourced from PubChem (CID 10917683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).