9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile

C105H61N7 — CID 159151983

About 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile

9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile (PubChem CID 159151983) has the molecular formula C105H61N7 and a molecular weight of 1420.69 g/mol. Its IUPAC name is 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile.

Molecular Properties

• Compound Name: 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile
• PubChem CID: 159151983
• Molecular Formula: C105H61N7
• Molecular Weight: 1420.69 g/mol
• Exact Mass: 1419.50
• IUPAC Name: 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile
• SMILES: N#Cc1ccc2c3c1ccc1c(-c4ccc(-c5cc6c7ccccc7c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6ccccc56)cc4)ccc(c13)n2-c1ccccc1.N#Cc1ccc2c3c1ccc1c(-c4cccc(-c5cc6c7ccccc7ccc6c6ccccc56)c4)ccc(c13)n2-c1ccccc1
• InChI: InChI=1S/C60H35N5.C45H26N2/c61-36-41-28-32-54-56-44(41)29-30-49-43(31-33-55(57(49)56)65(54)42-18-8-3-9-19-42)37-24-26-38(27-25-37)50-34-51-47-22-12-13-23-48(47)53(35-52(51)46-21-11-10-20-45(46)50)60-63-58(39-14-4-1-5-15-39)62-59(64-60)40-16-6-2-7-17-40;46-27-31-18-23-42-44-35(31)20-21-39-34(22-24-43(45(39)44)47(42)32-12-2-1-3-13-32)29-10-8-11-30(25-29)40-26-41-33-14-5-4-9-28(33)17-19-38(41)36-15-6-7-16-37(36)40/h1-35H;1-26H
• InChIKey: KJKKFDYTJIKFBL-UHFFFAOYSA-N
• XLogP: 27.27
• TPSA: 96.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1420.69
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile?

The IUPAC name of 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile (CID 159151983) is 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile.

What is the SMILES notation for 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile?

The canonical SMILES for 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile is N#Cc1ccc2c3c1ccc1c(-c4ccc(-c5cc6c7ccccc7c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6ccccc56)cc4)ccc(c13)n2-c1ccccc1.N#Cc1ccc2c3c1ccc1c(-c4cccc(-c5cc6c7ccccc7ccc6c6ccccc56)c4)ccc(c13)n2-c1ccccc1.

What is the InChIKey of 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile?

The InChIKey is KJKKFDYTJIKFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N5.C45H26N2/c61-36-41-28-32-54-56-44(41)29-30-49-43(31-33-55(57(49)56)65(54)42-18-8-3-9-19-42)37-24-26-38(27-25-37)50-34-51-47-22-12-13-23-48(47)53(35-52(51)46-21-11-10-20-45(46)50)60-63-58(39-14-4-1-5-15-39)62-59(64-60)40-16-6-2-7-17-40;46-27-31-18-23-42-44-35(31)20-21-39-34(22-24-43(45(39)44)47(42)32-12-2-1-3-13-32)29-10-8-11-30(25-29)40-26-41-33-14-5-4-9-28(33)17-19-38(41)36-15-6-7-16-37(36)40/h1-35H;1-26H.

What are the key properties of 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile?

9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile has a molecular weight of 1420.69 g/mol, XLogP of 27.27, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-chrysen-6-ylphenyl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile;9-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)chrysen-6-yl]phenyl]-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4-carbonitrile is sourced from PubChem (CID 159151983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).