21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C70H56N4Si — CID 153440641

About 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153440641) has the molecular formula C70H56N4Si and a molecular weight of 981.33 g/mol. Its IUPAC name is 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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: 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 153440641
• Molecular Formula: C70H56N4Si
• Molecular Weight: 981.33 g/mol
• Exact Mass: 980.43
• IUPAC Name: 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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)c3ccccc3-c3cc4c(cc32)N(c2cccc3c(N5c6ccccc6N(c6cc(C)cc(C)c6)c6ccccc65)cccc23)c2ccccc2N4c2cc(C)cc(C)c2)cc1
• InChI: InChI=1S/C70H56N4Si/c1-45-29-33-53(34-30-45)75(54-35-31-46(2)32-36-54)69-28-14-7-17-57(69)58-43-67-68(44-70(58)75)74(66-25-13-10-22-63(66)72(67)52-41-49(5)38-50(6)42-52)60-27-16-18-55-56(60)19-15-26-59(55)73-64-23-11-8-20-61(64)71(62-21-9-12-24-65(62)73)51-39-47(3)37-48(4)40-51/h7-44H,1-6H3
• InChIKey: GBFASGXTQPZZKN-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.33
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153440641) is 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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)c3ccccc3-c3cc4c(cc32)N(c2cccc3c(N5c6ccccc6N(c6cc(C)cc(C)c6)c6ccccc65)cccc23)c2ccccc2N4c2cc(C)cc(C)c2)cc1.

What is the InChIKey of 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 GBFASGXTQPZZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N4Si/c1-45-29-33-53(34-30-45)75(54-35-31-46(2)32-36-54)69-28-14-7-17-57(69)58-43-67-68(44-70(58)75)74(66-25-13-10-22-63(66)72(67)52-41-49(5)38-50(6)42-52)60-27-16-18-55-56(60)19-15-26-59(55)73-64-23-11-8-20-61(64)71(62-21-9-12-24-65(62)73)51-39-47(3)37-48(4)40-51/h7-44H,1-6H3.

What are the key properties of 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 981.33 g/mol, XLogP of 16.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-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 153440641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).