13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

C55H32N4S — CID 146787513

About 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene

13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (PubChem CID 146787513) has the molecular formula C55H32N4S and a molecular weight of 780.96 g/mol. Its IUPAC name is 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 146787513
• Molecular Formula: C55H32N4S
• Molecular Weight: 780.96 g/mol
• Exact Mass: 780.23
• IUPAC Name: 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3ccc5c(c34)c3c4ccccc4ccc3n5-c3ccc4sc5ccccc5c4c3)n2)cc1
• InChI: InChI=1S/C55H32N4S/c1-3-14-34(15-4-1)53-56-54(35-16-5-2-6-17-35)58-55(57-53)36-23-26-43-44(31-36)40-20-10-9-19-39(40)42-27-29-47-52(50(42)43)51-38-18-8-7-13-33(38)24-28-46(51)59(47)37-25-30-49-45(32-37)41-21-11-12-22-48(41)60-49/h1-32H
• InChIKey: RVDYOACXMYCVAM-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.96
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The IUPAC name of 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene (CID 146787513) is 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene.

What is the SMILES notation for 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The canonical SMILES for 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3ccc5c(c34)c3c4ccccc4ccc3n5-c3ccc4sc5ccccc5c4c3)n2)cc1.

What is the InChIKey of 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is RVDYOACXMYCVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4S/c1-3-14-34(15-4-1)53-56-54(35-16-5-2-6-17-35)58-55(57-53)36-23-26-43-44(31-36)40-20-10-9-19-39(40)42-27-29-47-52(50(42)43)51-38-18-8-7-13-33(38)24-28-46(51)59(47)37-25-30-49-45(32-37)41-21-11-12-22-48(41)60-49/h1-32H.

What are the key properties of 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene?

13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 780.96 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 146787513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).