1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole

C245H184N26O7SSi2 — CID 157132649

About 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole

1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole (PubChem CID 157132649) has the molecular formula C245H184N26O7SSi2 and a molecular weight of 3692.58 g/mol. Its IUPAC name is 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
• PubChem CID: 157132649
• Molecular Formula: C245H184N26O7SSi2
• Molecular Weight: 3692.58 g/mol
• Exact Mass: 3689.41
• IUPAC Name: 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
• SMILES: CC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8ncccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12.Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1.Cc1ncn(-c2cccc(-n3ccnc3)c2COc2ccc3c(c2)-c2cc(C(=O)CC(=O)c4ccc5c(c4)-c4cc(OCc6c(-n7cnc(C)c7C)cccc6-n6cnc(C)c6C)ccc4[Si]5(c4ccccc4)c4ccccc4)ccc2[Si]3(c2ccccc2)c2ccccc2)c1C
• InChI: InChI=1S/C90H70N8OS.C83H68N8O4Si2.C72H46N10O2/c1-51(2)67-43-63(45-75-76-49-65(47-68(52(3)4)86(76)99-85(67)75)97-81-27-23-57(55-17-13-19-61(37-55)89-93-33-15-34-94-89)39-71(81)73-41-59(25-29-83(73)97)79-21-9-11-31-91-79)64-44-69(53(5)6)87-77(46-64)78-50-66(48-70(54(7)8)88(78)100-87)98-82-28-24-58(56-18-14-20-62(38-56)90-95-35-16-36-96-90)40-72(82)74-42-60(26-30-84(74)98)80-22-10-12-32-92-80;1-54-57(4)89(51-85-54)75-30-19-29-74(88-42-41-84-50-88)72(75)48-94-62-35-39-82-70(45-62)68-43-60(33-37-80(68)96(82,64-21-11-7-12-22-64)65-23-13-8-14-24-65)78(92)47-79(93)61-34-38-81-69(44-61)71-46-63(36-40-83(71)97(81,66-25-15-9-16-26-66)67-27-17-10-18-28-67)95-49-73-76(90-52-86-55(2)58(90)5)31-20-32-77(73)91-53-87-56(3)59(91)6;1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46/h9-54H,1-8H3;7-46,50-53H,47-49H2,1-6H3;3-42H,1-2H3
• InChIKey: AJGGMVKFWNPOCH-UHFFFAOYSA-N
• XLogP: 53.62
• TPSA: 363.48 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 41
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3692.58
LogP ≤ 5	53.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The IUPAC name of 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole (CID 157132649) is 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole.

What is the SMILES notation for 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The canonical SMILES for 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole is CC(C)c1cc(-c2cc(C(C)C)c3sc4c(C(C)C)cc(-n5c6ccc(-c7cccc(-c8ncccn8)c7)cc6c6cc(-c7ccccn7)ccc65)cc4c3c2)cc2c1oc1c(C(C)C)cc(-n3c4ccc(-c5cccc(-c6ncccn6)c5)cc4c4cc(-c5ccccn5)ccc43)cc12.Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1.Cc1ncn(-c2cccc(-n3ccnc3)c2COc2ccc3c(c2)-c2cc(C(=O)CC(=O)c4ccc5c(c4)-c4cc(OCc6c(-n7cnc(C)c7C)cccc6-n6cnc(C)c6C)ccc4[Si]5(c4ccccc4)c4ccccc4)ccc2[Si]3(c2ccccc2)c2ccccc2)c1C.

What is the InChIKey of 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The InChIKey is AJGGMVKFWNPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H70N8OS.C83H68N8O4Si2.C72H46N10O2/c1-51(2)67-43-63(45-75-76-49-65(47-68(52(3)4)86(76)99-85(67)75)97-81-27-23-57(55-17-13-19-61(37-55)89-93-33-15-34-94-89)39-71(81)73-41-59(25-29-83(73)97)79-21-9-11-31-91-79)64-44-69(53(5)6)87-77(46-64)78-50-66(48-70(54(7)8)88(78)100-87)98-82-28-24-58(56-18-14-20-62(38-56)90-95-35-16-36-96-90)40-72(82)74-42-60(26-30-84(74)98)80-22-10-12-32-92-80;1-54-57(4)89(51-85-54)75-30-19-29-74(88-42-41-84-50-88)72(75)48-94-62-35-39-82-70(45-62)68-43-60(33-37-80(68)96(82,64-21-11-7-12-22-64)65-23-13-8-14-24-65)78(92)47-79(93)61-34-38-81-69(44-61)71-46-63(36-40-83(71)97(81,66-25-15-9-16-26-66)67-27-17-10-18-28-67)95-49-73-76(90-52-86-55(2)58(90)5)31-20-32-77(73)91-53-87-56(3)59(91)6;1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46/h9-54H,1-8H3;7-46,50-53H,47-49H2,1-6H3;3-42H,1-2H3.

What are the key properties of 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole has a molecular weight of 3692.58 g/mol, XLogP of 53.62, 41 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2,6-bis(4,5-dimethylimidazol-1-yl)phenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]-3-[2-[[2-(4,5-dimethylimidazol-1-yl)-6-imidazol-1-ylphenyl]methoxy]-5,5-diphenylbenzo[b][1]benzosilol-8-yl]propane-1,3-dione;9-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 157132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).