dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane

C141H93N13O3Si3 — CID 159104461

About dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane

dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane (PubChem CID 159104461) has the molecular formula C141H93N13O3Si3 and a molecular weight of 2101.64 g/mol. Its IUPAC name is dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane.

Molecular Properties

• Compound Name: dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane
• PubChem CID: 159104461
• Molecular Formula: C141H93N13O3Si3
• Molecular Weight: 2101.64 g/mol
• Exact Mass: 2099.68
• IUPAC Name: dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)n2)c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ncccn3)n2)c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)cnc43)n2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C50H32N6OSi.C46H31N3OSi.C45H30N4OSi/c1-3-15-34(16-4-1)58(35-17-5-2-6-18-35,45-27-13-22-39-38-21-9-12-26-44(38)57-47(39)45)46-28-30-52-50(54-46)56-43-25-11-8-20-37(43)41-31-33(32-53-49(41)56)55-42-24-10-7-19-36(42)40-23-14-29-51-48(40)55;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,43-25-13-21-37-36-20-8-10-24-42(36)50-46(37)43)45-27-14-22-39(48-45)32-28-29-41-38(31-32)35-19-7-9-23-40(35)49(41)44-26-11-12-30-47-44;1-3-14-32(15-4-1)51(33-16-5-2-6-17-33,42-24-11-20-36-35-19-8-10-23-41(35)50-44(36)42)43-25-12-21-38(48-43)31-26-27-40-37(30-31)34-18-7-9-22-39(34)49(40)45-46-28-13-29-47-45/h1-32H;1-31H;1-30H
• InChIKey: KDRWGNMIUYJIJB-UHFFFAOYSA-N
• XLogP: 25.17
• TPSA: 175.15 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.64
LogP ≤ 5	25.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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 dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane?

The IUPAC name of dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane (CID 159104461) is dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane.

What is the SMILES notation for dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane?

The canonical SMILES for dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)n2)c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ncccn3)n2)c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cccnc65)cnc43)n2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane?

The InChIKey is KDRWGNMIUYJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6OSi.C46H31N3OSi.C45H30N4OSi/c1-3-15-34(16-4-1)58(35-17-5-2-6-18-35,45-27-13-22-39-38-21-9-12-26-44(38)57-47(39)45)46-28-30-52-50(54-46)56-43-25-11-8-20-37(43)41-31-33(32-53-49(41)56)55-42-24-10-7-19-36(42)40-23-14-29-51-48(40)55;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,43-25-13-21-37-36-20-8-10-24-42(36)50-46(37)43)45-27-14-22-39(48-45)32-28-29-41-38(31-32)35-19-7-9-23-40(35)49(41)44-26-11-12-30-47-44;1-3-14-32(15-4-1)51(33-16-5-2-6-17-33,42-24-11-20-36-35-19-8-10-23-41(35)50-44(36)42)43-25-12-21-38(48-43)31-26-27-40-37(30-31)34-18-7-9-22-39(34)49(40)45-46-28-13-29-47-45/h1-32H;1-31H;1-30H.

What are the key properties of dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane?

dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane has a molecular weight of 2101.64 g/mol, XLogP of 25.17, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-4-yl-diphenyl-[6-(9-pyridin-2-ylcarbazol-3-yl)-2-pyridinyl]silane;dibenzofuran-4-yl-diphenyl-[2-(3-pyrido[2,3-b]indol-9-ylpyrido[2,3-b]indol-9-yl)pyrimidin-4-yl]silane;dibenzofuran-4-yl-diphenyl-[6-(9-pyrimidin-2-ylcarbazol-3-yl)-2-pyridinyl]silane is sourced from PubChem (CID 159104461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).