N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

C73H49N5Si — CID 140829869

About N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 140829869) has the molecular formula C73H49N5Si and a molecular weight of 1024.32 g/mol. Its IUPAC name is N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• PubChem CID: 140829869
• Molecular Formula: C73H49N5Si
• Molecular Weight: 1024.32 g/mol
• Exact Mass: 1023.38
• IUPAC Name: N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c4c6c(ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)c3cccc4ccccc34)c2)cc1
• InChI: InChI=1S/C73H49N5Si/c1-6-23-50(24-7-1)54-31-20-33-57(47-54)77(64-41-22-30-51-25-16-17-39-61(51)64)58-34-21-32-55(48-58)56-43-44-65-63(49-56)69-66(78(65)73-75-71(52-26-8-2-9-27-52)74-72(76-73)53-28-10-3-11-29-53)45-46-68-70(69)62-40-18-19-42-67(62)79(68,59-35-12-4-13-36-59)60-37-14-5-15-38-60/h1-49H
• InChIKey: QDJGLAUOABEUQF-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.32
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The IUPAC name of N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (CID 140829869) is N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5c(c4)c4c6c(ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)[Si](c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)c3cccc4ccccc34)c2)cc1.

What is the InChIKey of N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The InChIKey is QDJGLAUOABEUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N5Si/c1-6-23-50(24-7-1)54-31-20-33-57(47-54)77(64-41-22-30-51-25-16-17-39-61(51)64)58-34-21-32-55(48-58)56-43-44-65-63(49-56)69-66(78(65)73-75-71(52-26-8-2-9-27-52)74-72(76-73)53-28-10-3-11-29-53)45-46-68-70(69)62-40-18-19-42-67(62)79(68,59-35-12-4-13-36-59)60-37-14-5-15-38-60/h1-49H.

What are the key properties of N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 1024.32 g/mol, XLogP of 15.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 140829869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).