5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

C234H218B4N6O4Si6 — CID 160674050

About 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]

5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (PubChem CID 160674050) has the molecular formula C234H218B4N6O4Si6 and a molecular weight of 3390.12 g/mol. Its IUPAC name is 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

Molecular Properties

• Compound Name: 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• PubChem CID: 160674050
• Molecular Formula: C234H218B4N6O4Si6
• Molecular Weight: 3390.12 g/mol
• Exact Mass: 3387.60
• IUPAC Name: 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
• SMILES: CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc3Oc3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc3Oc3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3ccc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)cc32)c(C(C)C)c1.Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1O2
• InChI: InChI=1S/C75H65BN2OSi2.C55H57BN2OSi2.C53H50BNOSi.C51H46BNOSi/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)76-63-49-55(77-65-35-19-23-39-71(65)80(57-27-11-7-12-28-57,58-29-13-8-14-30-58)72-40-24-20-36-66(72)77)43-45-69(63)79-70-46-44-56(50-64(70)76)78-67-37-21-25-41-73(67)81(59-31-15-9-16-32-59,60-33-17-10-18-34-60)74-42-26-22-38-68(74)78;1-35(2)38-31-41(36(3)4)55(42(32-38)37(5)6)56-43-33-39(57-45-19-11-15-23-51(45)60(7,8)52-24-16-12-20-46(52)57)27-29-49(43)59-50-30-28-40(34-44(50)56)58-47-21-13-17-25-53(47)61(9,10)54-26-18-14-22-48(54)58;1-32(2)37-29-41(33(3)4)53(42(30-37)34(5)6)54-43-17-11-12-18-47(43)56-48-26-23-38(31-44(48)54)55-45-24-21-35(7)27-51(45)57(52-28-36(8)22-25-46(52)55)49-19-13-9-15-39(49)40-16-10-14-20-50(40)57;1-32(2)35-29-39(33(3)4)51(40(30-35)34(5)6)52-41-19-9-12-22-45(41)54-46-28-27-36(31-42(46)52)53-43-20-10-15-25-49(43)55(50-26-16-11-21-44(50)53)47-23-13-7-17-37(47)38-18-8-14-24-48(38)55/h7-53H,1-6H3;11-37H,1-10H3;9-34H,1-8H3;7-34H,1-6H3
• InChIKey: RNHLKRBKUFPIJL-UHFFFAOYSA-N
• XLogP: 41.15
• TPSA: 56.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3390.12
LogP ≤ 5	41.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The IUPAC name of 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] (CID 160674050) is 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole].

What is the SMILES notation for 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The canonical SMILES for 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)ccc3Oc3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3cc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc3Oc3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3ccc(N4c5ccccc5[Si]5(c6ccccc6-c6ccccc65)c5ccccc54)cc32)c(C(C)C)c1.Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc2c(c1)B(c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1O2.

What is the InChIKey of 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

The InChIKey is RNHLKRBKUFPIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H65BN2OSi2.C55H57BN2OSi2.C53H50BNOSi.C51H46BNOSi/c1-51(2)54-47-61(52(3)4)75(62(48-54)53(5)6)76-63-49-55(77-65-35-19-23-39-71(65)80(57-27-11-7-12-28-57,58-29-13-8-14-30-58)72-40-24-20-36-66(72)77)43-45-69(63)79-70-46-44-56(50-64(70)76)78-67-37-21-25-41-73(67)81(59-31-15-9-16-32-59,60-33-17-10-18-34-60)74-42-26-22-38-68(74)78;1-35(2)38-31-41(36(3)4)55(42(32-38)37(5)6)56-43-33-39(57-45-19-11-15-23-51(45)60(7,8)52-24-16-12-20-46(52)57)27-29-49(43)59-50-30-28-40(34-44(50)56)58-47-21-13-17-25-53(47)61(9,10)54-26-18-14-22-48(54)58;1-32(2)37-29-41(33(3)4)53(42(30-37)34(5)6)54-43-17-11-12-18-47(43)56-48-26-23-38(31-44(48)54)55-45-24-21-35(7)27-51(45)57(52-28-36(8)22-25-46(52)55)49-19-13-9-15-39(49)40-16-10-14-20-50(40)57;1-32(2)35-29-39(33(3)4)51(40(30-35)34(5)6)52-41-19-9-12-22-45(41)54-46-28-27-36(31-42(46)52)53-43-20-10-15-25-49(43)55(50-26-16-11-21-44(50)53)47-23-13-7-17-37(47)38-18-8-14-24-48(38)55/h7-53H,1-6H3;11-37H,1-10H3;9-34H,1-8H3;7-34H,1-6H3.

What are the key properties of 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]?

5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] has a molecular weight of 3390.12 g/mol, XLogP of 41.15, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;2,8-dimethyl-5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole];5-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-2-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole] is sourced from PubChem (CID 160674050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).