9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine

C63H41N5Si — CID 140829874

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine (PubChem CID 140829874) has the molecular formula C63H41N5Si and a molecular weight of 896.14 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine
• PubChem CID: 140829874
• Molecular Formula: C63H41N5Si
• Molecular Weight: 896.14 g/mol
• Exact Mass: 895.31
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c5c6c(ccc5n(-c5nc(-c7ccccc7)nc(-c7ccccc7)n5)c4c3)[Si]3(c4ccccc4-c4ccccc43)c3ccccc3-6)c2)cc1
• InChI: InChI=1S/C63H41N5Si/c1-5-20-42(21-6-1)45-26-19-29-47(40-45)67(46-27-11-4-12-28-46)48-36-37-51-54(41-48)68(63-65-61(43-22-7-2-8-23-43)64-62(66-63)44-24-9-3-10-25-44)53-38-39-58-60(59(51)53)52-32-15-18-35-57(52)69(58)55-33-16-13-30-49(55)50-31-14-17-34-56(50)69/h1-41H
• InChIKey: VCHHDHASBNIHKP-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.14
LogP ≤ 5	12.78
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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine (CID 140829874) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c5c6c(ccc5n(-c5nc(-c7ccccc7)nc(-c7ccccc7)n5)c4c3)[Si]3(c4ccccc4-c4ccccc43)c3ccccc3-6)c2)cc1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine?

The InChIKey is VCHHDHASBNIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5Si/c1-5-20-42(21-6-1)45-26-19-29-47(40-45)67(46-27-11-4-12-28-46)48-36-37-51-54(41-48)68(63-65-61(43-22-7-2-8-23-43)64-62(66-63)44-24-9-3-10-25-44)53-38-39-58-60(59(51)53)52-32-15-18-35-57(52)69(58)55-33-16-13-30-49(55)50-31-14-17-34-56(50)69/h1-41H.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine has a molecular weight of 896.14 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)spiro[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-nonaene-14,5'-benzo[b][1]benzosilole]-6-amine is sourced from PubChem (CID 140829874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).