14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C87H68N2Si2 — CID 153440624

About 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153440624) has the molecular formula C87H68N2Si2 and a molecular weight of 1197.69 g/mol. Its IUPAC name is 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 153440624
• Molecular Formula: C87H68N2Si2
• Molecular Weight: 1197.69 g/mol
• Exact Mass: 1196.49
• IUPAC Name: 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3ccc4c(-c5ccccc5)c5cc(N6c7ccccc7[Si](c7ccc(C)cc7)(c7ccc(C)cc7)c7cc8c(cc76)C(C)(C)c6ccccc6-8)ccc5c(-c5ccccc5)c4c3)c3ccccc32)cc1
• InChI: InChI=1S/C87H68N2Si2/c1-57-33-43-65(44-34-57)90(66-45-35-58(2)36-46-66)81-30-18-15-27-77(81)88(78-28-16-19-31-82(78)90)63-41-51-70-73(53-63)85(61-21-9-7-10-22-61)71-52-42-64(54-74(71)86(70)62-23-11-8-12-24-62)89-79-29-17-20-32-83(79)91(67-47-37-59(3)38-48-67,68-49-39-60(4)40-50-68)84-55-72-69-25-13-14-26-75(69)87(5,6)76(72)56-80(84)89/h7-56H,1-6H3
• InChIKey: FHXAROFJJQUVOA-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.69
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153440624) is 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3N(c3ccc4c(-c5ccccc5)c5cc(N6c7ccccc7[Si](c7ccc(C)cc7)(c7ccc(C)cc7)c7cc8c(cc76)C(C)(C)c6ccccc6-8)ccc5c(-c5ccccc5)c4c3)c3ccccc32)cc1.

What is the InChIKey of 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is FHXAROFJJQUVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H68N2Si2/c1-57-33-43-65(44-34-57)90(66-45-35-58(2)36-46-66)81-30-18-15-27-77(81)88(78-28-16-19-31-82(78)90)63-41-51-70-73(53-63)85(61-21-9-7-10-22-61)71-52-42-64(54-74(71)86(70)62-23-11-8-12-24-62)89-79-29-17-20-32-83(79)91(67-47-37-59(3)38-48-67,68-49-39-60(4)40-50-68)84-55-72-69-25-13-14-26-75(69)87(5,6)76(72)56-80(84)89/h7-56H,1-6H3.

What are the key properties of 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1197.69 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[6-[10,10-bis(4-methylphenyl)benzo[b][1,4]benzazasilin-5-yl]-9,10-diphenylanthracen-2-yl]-10,10-dimethyl-21,21-bis(4-methylphenyl)-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153440624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).