[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane

C66H100S4Si4 — CID 157265403

IUPAC[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane
SMILESCC(C)[Si](c1cc2c(ccc3c4cc([Si](C(C)C)(C(C)C)C(C)C)sc4ccc23)s1)(C(C)C)C(C)C.Cc1cc2c3cc([Si](C(C)C)(C(C)C)C(C)C)sc3c(C)cc2c2cc([Si](C(C)C)(C(C)C)C(C)C)sc12
InChIInChI=1S/C34H52S2Si2.C32H48S2Si2/c1-19(2)37(20(3)4,21(5)6)31-17-29-27-16-26(14)34-30(28(27)15-25(13)33(29)35-31)18-32(36-34)38(22(7)8,23(9)10)24(11)12;1-19(2)35(20(3)4,21(5)6)31-17-27-25-14-16-30-28(26(25)13-15-29(27)33-31)18-32(34-30)36(22(7)8,23(9)10)24(11)12/h15-24H,1-14H3;13-24H,1-12H3
InChIKeyAXXXTOWDDIELPH-UHFFFAOYSA-N
MW1134.14 g/mol
LogP22.70
Rot. Bonds16

About [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane

[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane (PubChem CID 157265403) has the molecular formula C66H100S4Si4 and a molecular weight of 1134.14 g/mol. Its IUPAC name is [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane.

Molecular Properties

Compound Name[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane
PubChem CID157265403
Molecular FormulaC66H100S4Si4
Molecular Weight1134.14 g/mol
Exact Mass1132.58
IUPAC Name[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane
SMILESCC(C)[Si](c1cc2c(ccc3c4cc([Si](C(C)C)(C(C)C)C(C)C)sc4ccc23)s1)(C(C)C)C(C)C.Cc1cc2c3cc([Si](C(C)C)(C(C)C)C(C)C)sc3c(C)cc2c2cc([Si](C(C)C)(C(C)C)C(C)C)sc12
InChIInChI=1S/C34H52S2Si2.C32H48S2Si2/c1-19(2)37(20(3)4,21(5)6)31-17-29-27-16-26(14)34-30(28(27)15-25(13)33(29)35-31)18-32(36-34)38(22(7)8,23(9)10)24(11)12;1-19(2)35(20(3)4,21(5)6)31-17-27-25-14-16-30-28(26(25)13-15-29(27)33-31)18-32(34-30)36(22(7)8,23(9)10)24(11)12/h15-24H,1-14H3;13-24H,1-12H3
InChIKeyAXXXTOWDDIELPH-UHFFFAOYSA-N
XLogP22.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.14
LogP ≤ 522.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane?
The IUPAC name of [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane (CID 157265403) is [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane.
What is the SMILES notation for [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane?
The canonical SMILES for [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane is CC(C)[Si](c1cc2c(ccc3c4cc([Si](C(C)C)(C(C)C)C(C)C)sc4ccc23)s1)(C(C)C)C(C)C.Cc1cc2c3cc([Si](C(C)C)(C(C)C)C(C)C)sc3c(C)cc2c2cc([Si](C(C)C)(C(C)C)C(C)C)sc12.
What is the InChIKey of [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane?
The InChIKey is AXXXTOWDDIELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52S2Si2.C32H48S2Si2/c1-19(2)37(20(3)4,21(5)6)31-17-29-27-16-26(14)34-30(28(27)15-25(13)33(29)35-31)18-32(36-34)38(22(7)8,23(9)10)24(11)12;1-19(2)35(20(3)4,21(5)6)31-17-27-25-14-16-30-28(26(25)13-15-29(27)33-31)18-32(34-30)36(22(7)8,23(9)10)24(11)12/h15-24H,1-14H3;13-24H,1-12H3.
What are the key properties of [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane?
[5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane has a molecular weight of 1134.14 g/mol, XLogP of 22.70, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,10-dimethyl-2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]-tri(propan-2-yl)silane;tri(propan-2-yl)-[2-tri(propan-2-yl)silyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl]silane is sourced from PubChem (CID 157265403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).