bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane

C222H204O6S4Si8 — CID 157326673

About bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane

bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane (PubChem CID 157326673) has the molecular formula C222H204O6S4Si8 and a molecular weight of 3325.05 g/mol. Its IUPAC name is bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane.

Molecular Properties

• Compound Name: bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
• PubChem CID: 157326673
• Molecular Formula: C222H204O6S4Si8
• Molecular Weight: 3325.05 g/mol
• Exact Mass: 3321.29
• IUPAC Name: bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane
• SMILES: CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(C)C)ccc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Sc2ccccc2S3)ccc1-c1cccc2c1Sc1ccccc1S2.[2H]C1(c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cccc5c4Oc4ccccc4C5(C)C)c(C4([2H])CCCC4)c3)ccc2-c2cccc3c2Oc2ccccc2C3(C)C)CCCC1.[2H]C1(c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cccc5c4Oc4ccccc4[Si]5(C)C)c(C4([2H])CCCC4)c3)ccc2-c2cccc3c2Oc2ccccc2[Si]3(C)C)CCCC1
• InChI: InChI=1S/C64H60O2Si.C62H60O2Si3.C50H48O2Si3.C46H36S4Si/c1-63(2)55-31-15-17-35-59(55)65-61-51(29-19-33-57(61)63)49-39-37-47(41-53(49)43-21-11-12-22-43)67(45-25-7-5-8-26-45,46-27-9-6-10-28-46)48-38-40-50(54(42-48)44-23-13-14-24-44)52-30-20-34-58-62(52)66-60-36-18-16-32-56(60)64(58,3)4;1-65(2)57-33-17-15-31-55(57)63-61-51(29-19-35-59(61)65)49-39-37-47(41-53(49)43-21-11-12-22-43)67(45-25-7-5-8-26-45,46-27-9-6-10-28-46)48-38-40-50(54(42-48)44-23-13-14-24-44)52-30-20-36-60-62(52)64-56-32-16-18-34-58(56)66(60,3)4;1-50(2,3)40-34-37(32-33-38(40)39-24-18-29-45-48(39)51-41-25-14-16-27-43(41)53(45,4)5)55(35-20-10-8-11-21-35,36-22-12-9-13-23-36)47-31-19-30-46-49(47)52-42-26-15-17-28-44(42)54(46,6)7;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42/h2*5-10,15-20,25-44H,11-14,21-24H2,1-4H3;8-34H,1-7H3;4-30H,1-3H3/i2*43D,44D
• InChIKey: BEUPKBQGOFIHJX-FLBXOTIFSA-N
• XLogP: 45.29
• TPSA: 55.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3325.05
LogP ≤ 5	45.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?

The IUPAC name of bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane (CID 157326673) is bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane.

What is the SMILES notation for bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?

The canonical SMILES for bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane is CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Oc2ccccc2[Si]3(C)C)ccc1-c1cccc2c1Oc1ccccc1[Si]2(C)C.CC(C)(C)c1cc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2Sc2ccccc2S3)ccc1-c1cccc2c1Sc1ccccc1S2.[2H]C1(c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cccc5c4Oc4ccccc4C5(C)C)c(C4([2H])CCCC4)c3)ccc2-c2cccc3c2Oc2ccccc2C3(C)C)CCCC1.[2H]C1(c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cccc5c4Oc4ccccc4[Si]5(C)C)c(C4([2H])CCCC4)c3)ccc2-c2cccc3c2Oc2ccccc2[Si]3(C)C)CCCC1.

What is the InChIKey of bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?

The InChIKey is BEUPKBQGOFIHJX-FLBXOTIFSA-N. The full InChI is InChI=1S/C64H60O2Si.C62H60O2Si3.C50H48O2Si3.C46H36S4Si/c1-63(2)55-31-15-17-35-59(55)65-61-51(29-19-33-57(61)63)49-39-37-47(41-53(49)43-21-11-12-22-43)67(45-25-7-5-8-26-45,46-27-9-6-10-28-46)48-38-40-50(54(42-48)44-23-13-14-24-44)52-30-20-34-58-62(52)66-60-36-18-16-32-56(60)64(58,3)4;1-65(2)57-33-17-15-31-55(57)63-61-51(29-19-35-59(61)65)49-39-37-47(41-53(49)43-21-11-12-22-43)67(45-25-7-5-8-26-45,46-27-9-6-10-28-46)48-38-40-50(54(42-48)44-23-13-14-24-44)52-30-20-36-60-62(52)64-56-32-16-18-34-58(56)66(60,3)4;1-50(2,3)40-34-37(32-33-38(40)39-24-18-29-45-48(39)51-41-25-14-16-27-43(41)53(45,4)5)55(35-20-10-8-11-21-35,36-22-12-9-13-23-36)47-31-19-30-46-49(47)52-42-26-15-17-28-44(42)54(46,6)7;1-46(2,3)36-30-33(28-29-34(36)35-20-14-25-41-44(35)49-39-23-12-10-21-37(39)47-41)51(31-16-6-4-7-17-31,32-18-8-5-9-19-32)43-27-15-26-42-45(43)50-40-24-13-11-22-38(40)48-42/h2*5-10,15-20,25-44H,11-14,21-24H2,1-4H3;8-34H,1-7H3;4-30H,1-3H3/i2*43D,44D;;.

What are the key properties of bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane?

bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane has a molecular weight of 3325.05 g/mol, XLogP of 45.29, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis[3-(1-deuteriocyclopentyl)-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-diphenylsilane;bis[3-(1-deuteriocyclopentyl)-4-(9,9-dimethylxanthen-4-yl)phenyl]-diphenylsilane;[3-tert-butyl-4-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane;(3-tert-butyl-4-thianthren-1-ylphenyl)-diphenyl-thianthren-1-ylsilane is sourced from PubChem (CID 157326673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).