2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile

C60H38N6Si — CID 149278610

About 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile

2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile (PubChem CID 149278610) has the molecular formula C60H38N6Si and a molecular weight of 871.09 g/mol. Its IUPAC name is 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

• Compound Name: 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile
• PubChem CID: 149278610
• Molecular Formula: C60H38N6Si
• Molecular Weight: 871.09 g/mol
• Exact Mass: 870.29
• IUPAC Name: 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile
• SMILES: N#Cc1cc(N2c3ccccc3C3(c4ccccc42)c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc23)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C60H38N6Si/c61-39-43-38-54(44(40-62)37-47(43)59-64-57(41-21-5-1-6-22-41)63-58(65-59)42-23-7-2-8-24-42)66-52-33-17-13-29-48(52)60(49-30-14-18-34-53(49)66)50-31-15-19-35-55(50)67(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56-36-20-16-32-51(56)60/h1-38H
• InChIKey: XSMVVVOOVIBMAT-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 89.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.09
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile?

The IUPAC name of 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile (CID 149278610) is 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile.

What is the SMILES notation for 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile?

The canonical SMILES for 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(N2c3ccccc3C3(c4ccccc42)c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc23)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile?

The InChIKey is XSMVVVOOVIBMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6Si/c61-39-43-38-54(44(40-62)37-47(43)59-64-57(41-21-5-1-6-22-41)63-58(65-59)42-23-7-2-8-24-42)66-52-33-17-13-29-48(52)60(49-30-14-18-34-53(49)66)50-31-15-19-35-55(50)67(45-25-9-3-10-26-45,46-27-11-4-12-28-46)56-36-20-16-32-51(56)60/h1-38H.

What are the key properties of 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile?

2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile has a molecular weight of 871.09 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 149278610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).