5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]

C138H93N15Si3 — CID 159513500

About 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]

5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] (PubChem CID 159513500) has the molecular formula C138H93N15Si3 and a molecular weight of 2045.63 g/mol. Its IUPAC name is 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline].

Molecular Properties

• Compound Name: 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]
• PubChem CID: 159513500
• Molecular Formula: C138H93N15Si3
• Molecular Weight: 2045.63 g/mol
• Exact Mass: 2043.70
• IUPAC Name: 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]
• SMILES: c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5ccncc54)cn2)c2ccccc23)cc1.c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5cnccc54)cn2)c2ccccc23)cc1.c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5ncccc54)cn2)c2ccccc23)cc1
• InChI: InChI=1S/3C46H31N5Si/c1-2-15-32(16-3-1)49-36-19-6-10-24-41(36)52(42-25-11-7-20-37(42)49)43-26-12-8-21-38(43)51(39-22-9-13-27-44(39)52)45-29-28-33(31-48-45)50-35-18-5-4-17-34(35)46-40(50)23-14-30-47-46;1-2-14-32(15-3-1)49-38-18-6-10-22-42(38)52(43-23-11-7-19-39(43)49)44-24-12-8-20-40(44)51(41-21-9-13-25-45(41)52)46-27-26-33(30-48-46)50-36-17-5-4-16-34(36)35-31-47-29-28-37(35)50;1-2-14-32(15-3-1)49-37-18-6-10-22-42(37)52(43-23-11-7-19-38(43)49)44-24-12-8-20-39(44)51(40-21-9-13-25-45(40)52)46-27-26-33(30-48-46)50-36-17-5-4-16-34(36)35-28-29-47-31-41(35)50/h3*1-31H
• InChIKey: MAWXIFFGVWOIEY-UHFFFAOYSA-N
• XLogP: 25.55
• TPSA: 111.57 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.63
LogP ≤ 5	25.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The IUPAC name of 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] (CID 159513500) is 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline].

What is the SMILES notation for 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The canonical SMILES for 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] is c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5ccncc54)cn2)c2ccccc23)cc1.c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5cnccc54)cn2)c2ccccc23)cc1.c1ccc(N2c3ccccc3[Si]3(c4ccccc42)c2ccccc2N(c2ccc(-n4c5ccccc5c5ncccc54)cn2)c2ccccc23)cc1.

What is the InChIKey of 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

The InChIKey is MAWXIFFGVWOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H31N5Si/c1-2-15-32(16-3-1)49-36-19-6-10-24-41(36)52(42-25-11-7-20-37(42)49)43-26-12-8-21-38(43)51(39-22-9-13-27-44(39)52)45-29-28-33(31-48-45)50-35-18-5-4-17-34(35)46-40(50)23-14-30-47-46;1-2-14-32(15-3-1)49-38-18-6-10-22-42(38)52(43-23-11-7-19-39(43)49)44-24-12-8-20-40(44)51(41-21-9-13-25-45(41)52)46-27-26-33(30-48-46)50-36-17-5-4-16-34(36)35-31-47-29-28-37(35)50;1-2-14-32(15-3-1)49-37-18-6-10-22-42(37)52(43-23-11-7-19-38(43)49)44-24-12-8-20-39(44)51(40-21-9-13-25-45(40)52)46-27-26-33(30-48-46)50-36-17-5-4-16-34(36)35-28-29-47-31-41(35)50/h3*1-31H.

What are the key properties of 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline]?

5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] has a molecular weight of 2045.63 g/mol, XLogP of 25.55, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-5'-(5-pyrido[3,2-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline];5-phenyl-5'-(5-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-10,10'-spirobi[benzo[b][1,4]benzazasiline] is sourced from PubChem (CID 159513500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).