10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane

C222H166N8Si5 — CID 164974033

About 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane

10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane (PubChem CID 164974033) has the molecular formula C222H166N8Si5 and a molecular weight of 3091.29 g/mol. Its IUPAC name is 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane.

Molecular Properties

• Compound Name: 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane
• PubChem CID: 164974033
• Molecular Formula: C222H166N8Si5
• Molecular Weight: 3091.29 g/mol
• Exact Mass: 3088.24
• IUPAC Name: 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane
• SMILES: C[Si]1(C)c2ccccc2N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc43)cc21.C[Si]1(C)c2ccccc2N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc43)cc21.[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c([2H])c1[2H].c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
• InChI: InChI=1S/C61H44N2Si.C60H44N2Si2.C51H40N2Si.C50H38N2Si/c1-7-23-45(24-8-1)61(46-25-9-2-10-26-46)55-36-20-22-38-59(55)62(47-27-11-3-12-28-47)60-41-39-48(43-56(60)61)63-57-37-21-19-35-53(57)54-44-52(40-42-58(54)63)64(49-29-13-4-14-30-49,50-31-15-5-16-32-50)51-33-17-6-18-34-51;1-7-23-45(24-8-1)61-57-37-21-22-38-59(57)64(50-31-15-5-16-32-50,51-33-17-6-18-34-51)60-42-39-46(43-58(60)61)62-55-36-20-19-35-53(55)54-44-52(40-41-56(54)62)63(47-25-9-2-10-26-47,48-27-11-3-12-28-48)49-29-13-4-14-30-49;1-54(2)49-30-18-17-29-46(49)52(41-25-13-6-14-26-41)47-34-32-42(36-50(47)54)53-45-28-16-15-27-43(45)44-33-31-40(35-48(44)53)51(37-19-7-3-8-20-37,38-21-9-4-10-22-38)39-23-11-5-12-24-39;1-53(2)49-25-15-14-24-46(49)51(39-20-10-5-11-21-39)47-31-28-40(34-50(47)53)52-45-23-13-12-22-42(45)43-30-27-38(33-48(43)52)44-32-37(35-16-6-3-7-17-35)26-29-41(44)36-18-8-4-9-19-36/h2*1-44H;3-36H,1-2H3;3-34H,1-2H3/i;2D,9D,10D,25D,26D
• InChIKey: DNEOEGJHLFFIAB-WZNQCDKRSA-N
• XLogP: 45.81
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3091.29
LogP ≤ 5	45.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane?

The IUPAC name of 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane (CID 164974033) is 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane.

What is the SMILES notation for 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane?

The canonical SMILES for 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane is C[Si]1(C)c2ccccc2N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)cc43)cc21.C[Si]1(C)c2ccccc2N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(C(c5ccccc5)(c5ccccc5)c5ccccc5)cc43)cc21.[2H]c1c([2H])c([2H])c([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)N(c2ccccc2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)c([2H])c1[2H].c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1.

What is the InChIKey of 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane?

The InChIKey is DNEOEGJHLFFIAB-WZNQCDKRSA-N. The full InChI is InChI=1S/C61H44N2Si.C60H44N2Si2.C51H40N2Si.C50H38N2Si/c1-7-23-45(24-8-1)61(46-25-9-2-10-26-46)55-36-20-22-38-59(55)62(47-27-11-3-12-28-47)60-41-39-48(43-56(60)61)63-57-37-21-19-35-53(57)54-44-52(40-42-58(54)63)64(49-29-13-4-14-30-49,50-31-15-5-16-32-50)51-33-17-6-18-34-51;1-7-23-45(24-8-1)61-57-37-21-22-38-59(57)64(50-31-15-5-16-32-50,51-33-17-6-18-34-51)60-42-39-46(43-58(60)61)62-55-36-20-19-35-53(55)54-44-52(40-41-56(54)62)63(47-25-9-2-10-26-47,48-27-11-3-12-28-48)49-29-13-4-14-30-49;1-54(2)49-30-18-17-29-46(49)52(41-25-13-6-14-26-41)47-34-32-42(36-50(47)54)53-45-28-16-15-27-43(45)44-33-31-40(35-48(44)53)51(37-19-7-3-8-20-37,38-21-9-4-10-22-38)39-23-11-5-12-24-39;1-53(2)49-25-15-14-24-46(49)51(39-20-10-5-11-21-39)47-31-28-40(34-50(47)53)52-45-23-13-12-22-42(45)43-30-27-38(33-48(43)52)44-32-37(35-16-6-3-7-17-35)26-29-41(44)36-18-8-4-9-19-36/h2*1-44H;3-36H,1-2H3;3-34H,1-2H3/i;2D,9D,10D,25D,26D;;.

What are the key properties of 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane?

10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane has a molecular weight of 3091.29 g/mol, XLogP of 45.81, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-5-phenyl-2-(2-tritylcarbazol-9-yl)benzo[b][1,4]benzazasiline;2-[2-(2,5-diphenylphenyl)carbazol-9-yl]-10,10-dimethyl-5-phenylbenzo[b][1,4]benzazasiline;(2,3,4,5,6-pentadeuteriophenyl)-diphenyl-[9-(5,10,10-triphenylbenzo[b][1,4]benzazasilin-3-yl)carbazol-3-yl]silane;triphenyl-[9-(9,9,10-triphenylacridin-2-yl)carbazol-3-yl]silane is sourced from PubChem (CID 164974033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).