2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline

C331H214N14Si6 — CID 160617042

About 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline

2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline (PubChem CID 160617042) has the molecular formula C331H214N14Si6 and a molecular weight of 4555.97 g/mol. Its IUPAC name is 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
• PubChem CID: 160617042
• Molecular Formula: C331H214N14Si6
• Molecular Weight: 4555.97 g/mol
• Exact Mass: 4551.58
• IUPAC Name: 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline
• SMILES: C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)nc6c5n4)cc3)ccc21.c1ccc([Si]2(c3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)nc7c6n5)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8cc9ccccc9c9ccccc89)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9ccc(-c%10ccccn%10)nc9)cc8)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc32)cc1
• InChI: InChI=1S/C60H38N2Si.C58H38N4Si.C58H36N2Si.C57H38N2Si.C56H36N2Si.C42H28N2Si/c1-2-15-45(16-3-1)63(57-23-10-8-21-52(57)53-22-9-11-24-58(53)63)46-32-27-39(28-33-46)42-13-12-14-43(37-42)55-35-30-40-25-26-41-31-36-56(62-60(41)59(40)61-55)44-29-34-51-49-19-5-4-17-47(49)48-18-6-7-20-50(48)54(51)38-44;1-3-11-47(12-4-1)63(48-13-5-2-6-14-48)55-17-8-7-15-49(55)50-37-45(31-35-56(50)63)39-18-22-41(23-19-39)51-32-28-43-26-27-44-29-33-52(62-58(44)57(43)61-51)42-24-20-40(21-25-42)46-30-34-54(60-38-46)53-16-9-10-36-59-53;1-3-12-42(13-4-1)61(43-14-5-2-6-15-43)54-21-10-9-18-47(54)51-36-41(30-35-55(51)61)37-22-24-38(25-23-37)52-33-28-39-26-27-40-29-34-53(60-58(40)57(39)59-52)46-31-32-50-45-17-8-7-16-44(45)48-19-11-20-49(46)56(48)50;1-60(2)53-18-10-6-14-45(53)46-33-39(28-32-54(46)60)35-19-21-36(22-20-35)51-30-26-37-23-24-38-27-31-52(59-56(38)55(37)58-51)40-25-29-44-43-13-5-9-17-49(43)57(50(44)34-40)47-15-7-3-11-41(47)42-12-4-8-16-48(42)57;1-3-14-43(15-4-1)59(44-16-5-2-6-17-44)53-22-12-11-21-48(53)50-35-41(31-34-54(50)59)37-23-25-38(26-24-37)51-32-29-39-27-28-40-30-33-52(58-56(40)55(39)57-51)49-36-42-13-7-8-18-45(42)46-19-9-10-20-47(46)49;1-3-11-34(12-4-1)45(35-13-5-2-6-14-35)39-16-8-7-15-36(39)37-28-33(24-26-40(37)45)29-17-19-30(20-18-29)38-25-23-32-22-21-31-10-9-27-43-41(31)42(32)44-38/h2*1-38H;1-36H;3-34H,1-2H3;1-36H;1-28H
• InChIKey: RGFPGKQDPDXQMA-UHFFFAOYSA-N
• XLogP: 67.66
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 351
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4555.97
LogP ≤ 5	67.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline?

The IUPAC name of 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline (CID 160617042) is 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline.

What is the SMILES notation for 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline?

The canonical SMILES for 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline is C[Si]1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7ccccc7-8)nc6c5n4)cc3)ccc21.c1ccc([Si]2(c3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8ccc9c%10ccccc%10c%10ccccc%10c9c8)nc7c6n5)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8cc9ccccc9c9ccccc89)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc(-c9ccc(-c%10ccccn%10)nc9)cc8)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7ccc(-c8ccc9c%10c(cccc8%10)-c8ccccc8-9)nc7c6n5)cc4)ccc32)cc1.c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)ccc32)cc1.

What is the InChIKey of 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline?

The InChIKey is RGFPGKQDPDXQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2Si.C58H38N4Si.C58H36N2Si.C57H38N2Si.C56H36N2Si.C42H28N2Si/c1-2-15-45(16-3-1)63(57-23-10-8-21-52(57)53-22-9-11-24-58(53)63)46-32-27-39(28-33-46)42-13-12-14-43(37-42)55-35-30-40-25-26-41-31-36-56(62-60(41)59(40)61-55)44-29-34-51-49-19-5-4-17-47(49)48-18-6-7-20-50(48)54(51)38-44;1-3-11-47(12-4-1)63(48-13-5-2-6-14-48)55-17-8-7-15-49(55)50-37-45(31-35-56(50)63)39-18-22-41(23-19-39)51-32-28-43-26-27-44-29-33-52(62-58(44)57(43)61-51)42-24-20-40(21-25-42)46-30-34-54(60-38-46)53-16-9-10-36-59-53;1-3-12-42(13-4-1)61(43-14-5-2-6-15-43)54-21-10-9-18-47(54)51-36-41(30-35-55(51)61)37-22-24-38(25-23-37)52-33-28-39-26-27-40-29-34-53(60-58(40)57(39)59-52)46-31-32-50-45-17-8-7-16-44(45)48-19-11-20-49(46)56(48)50;1-60(2)53-18-10-6-14-45(53)46-33-39(28-32-54(46)60)35-19-21-36(22-20-35)51-30-26-37-23-24-38-27-31-52(59-56(38)55(37)58-51)40-25-29-44-43-13-5-9-17-49(43)57(50(44)34-40)47-15-7-3-11-41(47)42-12-4-8-16-48(42)57;1-3-14-43(15-4-1)59(44-16-5-2-6-17-44)53-22-12-11-21-48(53)50-35-41(31-34-54(50)59)37-23-25-38(26-24-37)51-32-29-39-27-28-40-30-33-52(58-56(40)55(39)57-51)49-36-42-13-7-8-18-45(42)46-19-9-10-20-47(46)49;1-3-11-34(12-4-1)45(35-13-5-2-6-14-35)39-16-8-7-15-36(39)37-28-33(24-26-40(37)45)29-17-19-30(20-18-29)38-25-23-32-22-21-31-10-9-27-43-41(31)42(32)44-38/h2*1-38H;1-36H;3-34H,1-2H3;1-36H;1-28H.

What are the key properties of 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline?

2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline has a molecular weight of 4555.97 g/mol, XLogP of 67.66, 29 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-phenanthren-9-yl-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline;2-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-9-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,10-phenanthroline;2-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]-9-triphenylen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 160617042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).