2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline

C158H120N16OSi4 — CID 158727832

About 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline

2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline (PubChem CID 158727832) has the molecular formula C158H120N16OSi4 and a molecular weight of 2371.15 g/mol. Its IUPAC name is 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline.

Molecular Properties

• Compound Name: 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline
• PubChem CID: 158727832
• Molecular Formula: C158H120N16OSi4
• Molecular Weight: 2371.15 g/mol
• Exact Mass: 2368.89
• IUPAC Name: 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline
• SMILES: Cc1ccc2c(c1)[Si](C)(C)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si]1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1
• InChI: InChI=1S/C42H30N4OSi.C42H30N4Si.C42H32N4Si.C32H28N4Si/c1-27-15-18-33-40(23-27)48(38-13-5-3-11-36(38)47-37-12-4-6-14-39(37)48)41-24-28(2)16-19-34(41)45(33)29-17-20-32-31(25-29)42-35(10-8-22-44-42)46(32)30-9-7-21-43-26-30;1-27-15-18-35-40(23-27)47(38-13-5-3-10-31(38)32-11-4-6-14-39(32)47)41-24-28(2)16-19-36(41)45(35)29-17-20-34-33(25-29)42-37(12-8-22-44-42)46(34)30-9-7-21-43-26-30;1-29-17-20-37-40(25-29)47(33-12-5-3-6-13-33,34-14-7-4-8-15-34)41-26-30(2)18-21-38(41)45(37)31-19-22-36-35(27-31)42-39(16-10-24-44-42)46(36)32-11-9-23-43-28-32;1-21-9-12-27-30(17-21)37(3,4)31-18-22(2)10-13-28(31)35(27)23-11-14-26-25(19-23)32-29(8-6-16-34-32)36(26)24-7-5-15-33-20-24/h3-26H,1-2H3;3-26H,1-2H3;3-28H,1-2H3;5-20H,1-4H3
• InChIKey: IKSORWLVSJTVEG-UHFFFAOYSA-N
• XLogP: 28.94
• TPSA: 145.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.15
LogP ≤ 5	28.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline?

The IUPAC name of 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline (CID 158727832) is 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline.

What is the SMILES notation for 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline?

The canonical SMILES for 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline is Cc1ccc2c(c1)[Si](C)(C)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.Cc1ccc2c(c1)[Si]1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)c1ncccc1n2-c1cccnc1.

What is the InChIKey of 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline?

The InChIKey is IKSORWLVSJTVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4OSi.C42H30N4Si.C42H32N4Si.C32H28N4Si/c1-27-15-18-33-40(23-27)48(38-13-5-3-11-36(38)47-37-12-4-6-14-39(37)48)41-24-28(2)16-19-34(41)45(33)29-17-20-32-31(25-29)42-35(10-8-22-44-42)46(32)30-9-7-21-43-26-30;1-27-15-18-35-40(23-27)47(38-13-5-3-10-31(38)32-11-4-6-14-39(32)47)41-24-28(2)16-19-36(41)45(35)29-17-20-34-33(25-29)42-37(12-8-22-44-42)46(34)30-9-7-21-43-26-30;1-29-17-20-37-40(25-29)47(33-12-5-3-6-13-33,34-14-7-4-8-15-34)41-26-30(2)18-21-38(41)45(37)31-19-22-36-35(27-31)42-39(16-10-24-44-42)46(36)32-11-9-23-43-28-32;1-21-9-12-27-30(17-21)37(3,4)31-18-22(2)10-13-28(31)35(27)23-11-14-26-25(19-23)32-29(8-6-16-34-32)36(26)24-7-5-15-33-20-24/h3-26H,1-2H3;3-26H,1-2H3;3-28H,1-2H3;5-20H,1-4H3.

What are the key properties of 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline?

2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline has a molecular weight of 2371.15 g/mol, XLogP of 28.94, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];2,8-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline];2,8,10,10-tetramethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline is sourced from PubChem (CID 158727832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).