9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C240H156N8Si4 — CID 158417427

About 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158417427) has the molecular formula C240H156N8Si4 and a molecular weight of 3264.29 g/mol. Its IUPAC name is 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 158417427
• Molecular Formula: C240H156N8Si4
• Molecular Weight: 3264.29 g/mol
• Exact Mass: 3261.15
• IUPAC Name: 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si]7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si]7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6ccc54)c3)cc2)cc1
• InChI: InChI=1S/2C60H38N2Si.2C60H40N2Si/c1-2-15-39(16-3-1)40-29-31-41(32-30-40)42-17-14-18-43(37-42)61-51-24-9-4-22-49(51)59-53(61)35-36-54-60(59)50-23-5-10-25-52(50)62(54)44-33-34-48-47-21-8-13-28-57(47)63(58(48)38-44)55-26-11-6-19-45(55)46-20-7-12-27-56(46)63;1-2-14-39(15-3-1)40-26-28-41(29-27-40)42-30-32-43(33-31-42)61-51-21-9-4-19-49(51)59-53(61)36-37-54-60(59)50-20-5-10-22-52(50)62(54)44-34-35-48-47-18-8-13-25-57(47)63(58(48)38-44)55-23-11-6-16-45(55)46-17-7-12-24-56(46)63;1-4-17-41(18-5-1)42-31-33-43(34-32-42)44-19-16-20-45(39-44)61-53-28-13-10-26-51(53)59-55(61)37-38-56-60(59)52-27-11-14-29-54(52)62(56)46-35-36-50-49-25-12-15-30-57(49)63(58(50)40-46,47-21-6-2-7-22-47)48-23-8-3-9-24-48;1-4-16-41(17-5-1)42-28-30-43(31-29-42)44-32-34-45(35-33-44)61-53-25-13-10-23-51(53)59-55(61)38-39-56-60(59)52-24-11-14-26-54(52)62(56)46-36-37-50-49-22-12-15-27-57(49)63(58(50)40-46,47-18-6-2-7-19-47)48-20-8-3-9-21-48/h2*1-38H;2*1-40H
• InChIKey: HABMMZZFRXXTBR-UHFFFAOYSA-N
• XLogP: 50.25
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3264.29
LogP ≤ 5	50.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158417427) is 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si]7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6ccc54)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si](c7ccccc7)(c7ccccc7)c7ccccc7-8)c6ccc54)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccc8c(c7)[Si]7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6ccc54)c3)cc2)cc1.

What is the InChIKey of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is HABMMZZFRXXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H38N2Si.2C60H40N2Si/c1-2-15-39(16-3-1)40-29-31-41(32-30-40)42-17-14-18-43(37-42)61-51-24-9-4-22-49(51)59-53(61)35-36-54-60(59)50-23-5-10-25-52(50)62(54)44-33-34-48-47-21-8-13-28-57(47)63(58(48)38-44)55-26-11-6-19-45(55)46-20-7-12-27-56(46)63;1-2-14-39(15-3-1)40-26-28-41(29-27-40)42-30-32-43(33-31-42)61-51-21-9-4-19-49(51)59-53(61)36-37-54-60(59)50-20-5-10-22-52(50)62(54)44-34-35-48-47-18-8-13-25-57(47)63(58(48)38-44)55-23-11-6-16-45(55)46-17-7-12-24-56(46)63;1-4-17-41(18-5-1)42-31-33-43(34-32-42)44-19-16-20-45(39-44)61-53-28-13-10-26-51(53)59-55(61)37-38-56-60(59)52-27-11-14-29-54(52)62(56)46-35-36-50-49-25-12-15-30-57(49)63(58(50)40-46,47-21-6-2-7-22-47)48-23-8-3-9-24-48;1-4-16-41(17-5-1)42-28-30-43(31-29-42)44-32-34-45(35-33-44)61-53-25-13-10-23-51(53)59-55(61)38-39-56-60(59)52-24-11-14-26-54(52)62(56)46-36-37-50-49-22-12-15-27-57(49)63(58(50)40-46,47-18-6-2-7-19-47)48-20-8-3-9-21-48/h2*1-38H;2*1-40H.

What are the key properties of 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 3264.29 g/mol, XLogP of 50.25, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4-phenylphenyl)phenyl]-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158417427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).