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

C150H104N16OSi4 — CID 158506112

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

10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline] (PubChem CID 158506112) has the molecular formula C150H104N16OSi4 and a molecular weight of 2258.94 g/mol. Its IUPAC name is 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline].

Molecular Properties

• Compound Name: 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline]
• PubChem CID: 158506112
• Molecular Formula: C150H104N16OSi4
• Molecular Weight: 2258.94 g/mol
• Exact Mass: 2256.77
• IUPAC Name: 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline]
• SMILES: C[Si]1(C)c2ccccc2N(c2ccc3c(c2)c2ncccc2n3-c2cccnc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)c3ncccc3n4-c3cccnc3)c3ccccc32)cc1.c1cncc(-n2c3ccc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5[Si]5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3c3ncccc32)c1
• InChI: InChI=1S/C40H26N4OSi.C40H26N4Si.C40H28N4Si.C30H24N4Si/c1-5-17-36-31(12-1)43(27-21-22-30-29(25-27)40-33(14-10-24-42-40)44(30)28-11-9-23-41-26-28)32-13-2-6-18-37(32)46(36)38-19-7-3-15-34(38)45-35-16-4-8-20-39(35)46;1-5-17-36-29(12-1)30-13-2-6-18-37(30)45(36)38-19-7-3-14-33(38)43(34-15-4-8-20-39(34)45)27-21-22-32-31(25-27)40-35(16-10-24-42-40)44(32)28-11-9-23-41-26-28;1-3-14-31(15-4-1)45(32-16-5-2-6-17-32)38-21-9-7-18-35(38)43(36-19-8-10-22-39(36)45)29-23-24-34-33(27-29)40-37(20-12-26-42-40)44(34)30-13-11-25-41-28-30;1-35(2)28-13-5-3-10-25(28)33(26-11-4-6-14-29(26)35)21-15-16-24-23(19-21)30-27(12-8-18-32-30)34(24)22-9-7-17-31-20-22/h1-26H;1-26H;1-28H;3-20H,1-2H3
• InChIKey: HKMGTAOEKHWMDV-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 145.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.94
LogP ≤ 5	26.47
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 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline]?

The IUPAC name of 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline] (CID 158506112) is 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline].

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

The canonical SMILES for 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline] is C[Si]1(C)c2ccccc2N(c2ccc3c(c2)c2ncccc2n3-c2cccnc2)c2ccccc21.c1ccc([Si]2(c3ccccc3)c3ccccc3N(c3ccc4c(c3)c3ncccc3n4-c3cccnc3)c3ccccc32)cc1.c1cncc(-n2c3ccc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)cc3c3ncccc32)c1.c1cncc(-n2c3ccc(N4c5ccccc5[Si]5(c6ccccc6Oc6ccccc65)c5ccccc54)cc3c3ncccc32)c1.

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

The InChIKey is HKMGTAOEKHWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4OSi.C40H26N4Si.C40H28N4Si.C30H24N4Si/c1-5-17-36-31(12-1)43(27-21-22-30-29(25-27)40-33(14-10-24-42-40)44(30)28-11-9-23-41-26-28)32-13-2-6-18-37(32)46(36)38-19-7-3-15-34(38)45-35-16-4-8-20-39(35)46;1-5-17-36-29(12-1)30-13-2-6-18-37(30)45(36)38-19-7-3-14-33(38)43(34-15-4-8-20-39(34)45)27-21-22-32-31(25-27)40-35(16-10-24-42-40)44(32)28-11-9-23-41-26-28;1-3-14-31(15-4-1)45(32-16-5-2-6-17-32)38-21-9-7-18-35(38)43(36-19-8-10-22-39(36)45)29-23-24-34-33(27-29)40-37(20-12-26-42-40)44(34)30-13-11-25-41-28-30;1-35(2)28-13-5-3-10-25(28)33(26-11-4-6-14-29(26)35)21-15-16-24-23(19-21)30-27(12-8-18-32-30)34(24)22-9-7-17-31-20-22/h1-26H;1-26H;1-28H;3-20H,1-2H3.

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

10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline] has a molecular weight of 2258.94 g/mol, XLogP of 26.47, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;10,10-diphenyl-5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)benzo[b][1,4]benzazasiline;5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[benzo[b][1,4]benzazasiline-10,10'-benzo[b][1,4]benzoxasiline] is sourced from PubChem (CID 158506112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).