[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane

C32H46Cl2S2Si2 — CID 102458619

IUPAC[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc2c(Cl)cc3c(cc(Cl)c4cc([Si](C(C)C)(C(C)C)C(C)C)sc43)c2s1)(C(C)C)C(C)C
InChIInChI=1S/C32H46Cl2S2Si2/c1-17(2)37(18(3)4,19(5)6)29-15-25-27(33)14-24-23(31(25)35-29)13-28(34)26-16-30(36-32(24)26)38(20(7)8,21(9)10)22(11)12/h13-22H,1-12H3
InChIKeyHJRKJFDNBIAJRE-UHFFFAOYSA-N
MW621.93 g/mol
LogP12.35
Rot. Bonds8

About [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane

[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane (PubChem CID 102458619) has the molecular formula C32H46Cl2S2Si2 and a molecular weight of 621.93 g/mol. Its IUPAC name is [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane
PubChem CID102458619
Molecular FormulaC32H46Cl2S2Si2
Molecular Weight621.93 g/mol
Exact Mass620.20
IUPAC Name[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1cc2c(Cl)cc3c(cc(Cl)c4cc([Si](C(C)C)(C(C)C)C(C)C)sc43)c2s1)(C(C)C)C(C)C
InChIInChI=1S/C32H46Cl2S2Si2/c1-17(2)37(18(3)4,19(5)6)29-15-25-27(33)14-24-23(31(25)35-29)13-28(34)26-16-30(36-32(24)26)38(20(7)8,21(9)10)22(11)12/h13-22H,1-12H3
InChIKeyHJRKJFDNBIAJRE-UHFFFAOYSA-N
XLogP12.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.93
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[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
[4-bromo-5-[2-[2,5-dibromo-4-[2-[3-bromo-5-tri(propan-2-yl)silylthiophen-2-yl]ethynyl]phenyl]ethynyl]thiophen-2-yl]-tri(propan-2-yl)silane
CID 132512537
lithium;magnesium;tri(propan-2-yl)-(2H-thiophen-2-id-5-yl)silane;dichloride
CID 134832638
4,9,14-tri(propan-2-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 90225313
4-chloro-7-methylsulfanyl-1-benzothiophene-2-thiol
CID 130956480
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
4,6,7-trichloro-2-methylquinoline
CID 17039821
5,7-dichloro-N-methyl-8-propan-2-yloxy-N-pyridin-2-ylquinolin-2-amine
CID 11667669
2-(4-bromo-2,6-dichlorophenoxy)ethoxy-tri(propan-2-yl)silane
CID 172541608
3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
CID 82267076
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335
4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309556

Frequently Asked Questions

What is the IUPAC name of [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane (CID 102458619) is [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane is CC(C)[Si](c1cc2c(Cl)cc3c(cc(Cl)c4cc([Si](C(C)C)(C(C)C)C(C)C)sc43)c2s1)(C(C)C)C(C)C.
What is the InChIKey of [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane?
The InChIKey is HJRKJFDNBIAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46Cl2S2Si2/c1-17(2)37(18(3)4,19(5)6)29-15-25-27(33)14-24-23(31(25)35-29)13-28(34)26-16-30(36-32(24)26)38(20(7)8,21(9)10)22(11)12/h13-22H,1-12H3.
What are the key properties of [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane?
[5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane has a molecular weight of 621.93 g/mol, XLogP of 12.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,10-dichloro-2-tri(propan-2-yl)silyl-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102458619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).