24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

C92H56N8 — CID 158479120

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (PubChem CID 158479120) has the molecular formula C92H56N8 and a molecular weight of 1273.52 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• PubChem CID: 158479120
• Molecular Formula: C92H56N8
• Molecular Weight: 1273.52 g/mol
• Exact Mass: 1272.46
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C49H30N4.C43H26N4/c1-3-15-31(16-4-1)47-50-48(32-17-5-2-6-18-32)52-49(51-47)33-19-13-20-34(29-33)53-30-42-37-23-9-12-26-40(37)45-38-24-10-7-21-35(38)36-22-8-11-25-39(36)46(45)41-27-14-28-43(53)44(41)42;1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)47-26-36-31-20-9-12-23-34(31)39-32-21-10-7-18-29(32)30-19-8-11-22-33(30)40(39)35-24-13-25-37(47)38(35)36/h1-30H;1-26H
• InChIKey: HHHMVBGFVAGHRC-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1273.52
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene (CID 158479120) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4cc5c6c(cccc64)-c4c(c6ccccc6c6ccccc46)-c4ccccc4-5)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3cc4c5c(cccc53)-c3c(c5ccccc5c5ccccc35)-c3ccccc3-4)n2)cc1.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

The InChIKey is HHHMVBGFVAGHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4.C43H26N4/c1-3-15-31(16-4-1)47-50-48(32-17-5-2-6-18-32)52-49(51-47)33-19-13-20-34(29-33)53-30-42-37-23-9-12-26-40(37)45-38-24-10-7-21-35(38)36-22-8-11-25-39(36)46(45)41-27-14-28-43(53)44(41)42;1-3-14-27(15-4-1)41-44-42(28-16-5-2-6-17-28)46-43(45-41)47-26-36-31-20-9-12-23-34(31)39-32-21-10-7-18-29(32)30-19-8-11-22-33(30)40(39)35-24-13-25-37(47)38(35)36/h1-30H;1-26H.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene has a molecular weight of 1273.52 g/mol, XLogP of 23.21, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-azaheptacyclo[20.6.1.02,15.03,8.09,14.016,21.025,29]nonacosa-1(29),2(15),3,5,7,9,11,13,16,18,20,22,25,27-tetradecaene is sourced from PubChem (CID 158479120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).