[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane

C188H190S8Si6 — CID 159277609

IUPAC[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane
SMILESCC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2C3(C)C)cc1-c1cccc2c1Sc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2[Si]3(C)C)cc1-c1cccc2c1Sc1ccccc1[Si]2(C)C.[2H]C1(c2ccc([Si](C)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)cc2-c2cccc3c2Sc2ccccc2C3(C)C)CCCC1.[2H]C1(c2ccc3c(c2)Sc2c(ccc(C4([2H])CCCC4)c2-c2cccc([Si](C)(C)c4cccc5c4Sc4ccccc4C5(C)C)c2)C3(C)C)CCCC1
InChIInChI=1S/C48H52S2Si.C48H46S2Si.C47H46S2Si.C45H46S2Si3/c1-47(2)37-21-11-12-23-41(37)49-45-39(47)22-14-24-43(45)51(5,6)35-20-13-19-34(29-35)44-36(32-17-9-10-18-32)26-28-40-46(44)50-42-30-33(31-15-7-8-16-31)25-27-38(42)48(40,3)4;1-47(2)38-22-11-13-26-42(38)49-45-36(21-15-24-40(45)47)37-31-34(29-30-35(37)32-17-9-10-18-32)51(5,33-19-7-6-8-20-33)44-28-16-25-41-46(44)50-43-27-14-12-23-39(43)48(41,3)4;1-45(2,3)35-29-28-32(30-34(35)33-20-16-23-38-43(33)48-40-25-14-12-21-36(40)46(38,4)5)50(8,31-18-10-9-11-19-31)42-27-17-24-39-44(42)49-41-26-15-13-22-37(41)47(39,6)7;1-45(2,3)35-29-28-32(30-34(35)33-20-16-25-40-43(33)46-36-21-12-14-23-38(36)48(40,4)5)50(8,31-18-10-9-11-19-31)42-27-17-26-41-44(42)47-37-22-13-15-24-39(37)49(41,6)7/h11-14,19-32H,7-10,15-18H2,1-6H3;6-8,11-16,19-32H,9-10,17-18H2,1-5H3;2*9-30H,1-8H3/i31D,32D;32D;;
InChIKeyKYMXSDCVXXLSOA-NFKQVFPUSA-N
MW2877.66 g/mol
LogP44.42
Rot. Bonds18

About [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane

[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane (PubChem CID 159277609) has the molecular formula C188H190S8Si6 and a molecular weight of 2877.66 g/mol. Its IUPAC name is [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane.

Molecular Properties

Compound Name[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane
PubChem CID159277609
Molecular FormulaC188H190S8Si6
Molecular Weight2877.66 g/mol
Exact Mass2874.14
IUPAC Name[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane
SMILESCC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2C3(C)C)cc1-c1cccc2c1Sc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2[Si]3(C)C)cc1-c1cccc2c1Sc1ccccc1[Si]2(C)C.[2H]C1(c2ccc([Si](C)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)cc2-c2cccc3c2Sc2ccccc2C3(C)C)CCCC1.[2H]C1(c2ccc3c(c2)Sc2c(ccc(C4([2H])CCCC4)c2-c2cccc([Si](C)(C)c4cccc5c4Sc4ccccc4C5(C)C)c2)C3(C)C)CCCC1
InChIInChI=1S/C48H52S2Si.C48H46S2Si.C47H46S2Si.C45H46S2Si3/c1-47(2)37-21-11-12-23-41(37)49-45-39(47)22-14-24-43(45)51(5,6)35-20-13-19-34(29-35)44-36(32-17-9-10-18-32)26-28-40-46(44)50-42-30-33(31-15-7-8-16-31)25-27-38(42)48(40,3)4;1-47(2)38-22-11-13-26-42(38)49-45-36(21-15-24-40(45)47)37-31-34(29-30-35(37)32-17-9-10-18-32)51(5,33-19-7-6-8-20-33)44-28-16-25-41-46(44)50-43-27-14-12-23-39(43)48(41,3)4;1-45(2,3)35-29-28-32(30-34(35)33-20-16-23-38-43(33)48-40-25-14-12-21-36(40)46(38,4)5)50(8,31-18-10-9-11-19-31)42-27-17-24-39-44(42)49-41-26-15-13-22-37(41)47(39,6)7;1-45(2,3)35-29-28-32(30-34(35)33-20-16-25-40-43(33)46-36-21-12-14-23-38(36)48(40,4)5)50(8,31-18-10-9-11-19-31)42-27-17-26-41-44(42)47-37-22-13-15-24-39(37)49(41,6)7/h11-14,19-32H,7-10,15-18H2,1-6H3;6-8,11-16,19-32H,9-10,17-18H2,1-5H3;2*9-30H,1-8H3/i31D,32D;32D;;
InChIKeyKYMXSDCVXXLSOA-NFKQVFPUSA-N
XLogP44.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms202
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002877.66
LogP ≤ 544.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane?
The IUPAC name of [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane (CID 159277609) is [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane.
What is the SMILES notation for [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane?
The canonical SMILES for [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane is CC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2C3(C)C)cc1-c1cccc2c1Sc1ccccc1C2(C)C.CC(C)(C)c1ccc([Si](C)(c2ccccc2)c2cccc3c2Sc2ccccc2[Si]3(C)C)cc1-c1cccc2c1Sc1ccccc1[Si]2(C)C.[2H]C1(c2ccc([Si](C)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)cc2-c2cccc3c2Sc2ccccc2C3(C)C)CCCC1.[2H]C1(c2ccc3c(c2)Sc2c(ccc(C4([2H])CCCC4)c2-c2cccc([Si](C)(C)c4cccc5c4Sc4ccccc4C5(C)C)c2)C3(C)C)CCCC1.
What is the InChIKey of [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane?
The InChIKey is KYMXSDCVXXLSOA-NFKQVFPUSA-N. The full InChI is InChI=1S/C48H52S2Si.C48H46S2Si.C47H46S2Si.C45H46S2Si3/c1-47(2)37-21-11-12-23-41(37)49-45-39(47)22-14-24-43(45)51(5,6)35-20-13-19-34(29-35)44-36(32-17-9-10-18-32)26-28-40-46(44)50-42-30-33(31-15-7-8-16-31)25-27-38(42)48(40,3)4;1-47(2)38-22-11-13-26-42(38)49-45-36(21-15-24-40(45)47)37-31-34(29-30-35(37)32-17-9-10-18-32)51(5,33-19-7-6-8-20-33)44-28-16-25-41-46(44)50-43-27-14-12-23-39(43)48(41,3)4;1-45(2,3)35-29-28-32(30-34(35)33-20-16-23-38-43(33)48-40-25-14-12-21-36(40)46(38,4)5)50(8,31-18-10-9-11-19-31)42-27-17-24-39-44(42)49-41-26-15-13-22-37(41)47(39,6)7;1-45(2,3)35-29-28-32(30-34(35)33-20-16-25-40-43(33)46-36-21-12-14-23-38(36)48(40,4)5)50(8,31-18-10-9-11-19-31)42-27-17-26-41-44(42)47-37-22-13-15-24-39(37)49(41,6)7/h11-14,19-32H,7-10,15-18H2,1-6H3;6-8,11-16,19-32H,9-10,17-18H2,1-5H3;2*9-30H,1-8H3/i31D,32D;32D;;.
What are the key properties of [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane?
[3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane has a molecular weight of 2877.66 g/mol, XLogP of 44.42, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,6-bis(1-deuteriocyclopentyl)-9,9-dimethylthioxanthen-4-yl]phenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane;[4-tert-butyl-3-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzothiasilin-4-yl)-methyl-phenylsilane;[4-tert-butyl-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane;[4-(1-deuteriocyclopentyl)-3-(9,9-dimethylthioxanthen-4-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-methyl-phenylsilane is sourced from PubChem (CID 159277609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).