2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C174H104N12O3S2 — CID 165023944

About 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 165023944) has the molecular formula C174H104N12O3S2 and a molecular weight of 2474.96 g/mol. Its IUPAC name is 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
• PubChem CID: 165023944
• Molecular Formula: C174H104N12O3S2
• Molecular Weight: 2474.96 g/mol
• Exact Mass: 2472.78
• IUPAC Name: 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3oc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5ccc4c3c2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6cccc(-c7ccc8ccccc8c7)c6sc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6cccc(-c7cccc8oc9ccccc9c78)c6sc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c5cccc(-c6ccccc6)c5oc43)n2)cc1
• InChI: InChI=1S/C51H29N3OS.C49H29N3S.2C37H23N3O/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)43-28-32-14-4-5-15-34(32)35-16-6-7-17-36(35)43)33-25-24-30-26-27-40-39-21-10-20-38(47(39)56-48(40)42(30)29-33)37-19-11-23-45-46(37)41-18-8-9-22-44(41)55-45;1-2-12-31(13-3-1)47-50-48(52-49(51-47)44-29-33-15-6-7-16-37(33)40-17-8-9-18-41(40)44)36-24-25-39-35(28-36)23-26-43-42-20-10-19-38(45(42)53-46(39)43)34-22-21-30-11-4-5-14-32(30)27-34;1-4-12-24(13-5-1)27-18-10-20-30-31-23-22-28-29(34(31)41-33(27)30)19-11-21-32(28)37-39-35(25-14-6-2-7-15-25)38-36(40-37)26-16-8-3-9-17-26;1-4-10-24(11-5-1)27-18-21-33-32(23-27)31-20-16-28-22-29(17-19-30(28)34(31)41-33)37-39-35(25-12-6-2-7-13-25)38-36(40-37)26-14-8-3-9-15-26/h1-29H;1-29H;2*1-23H
• InChIKey: LOYTVQWWUHDDAA-UHFFFAOYSA-N
• XLogP: 46.97
• TPSA: 194.10 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2474.96
LogP ≤ 5	46.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 165023944) is 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc3oc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5ccc4c3c2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5c6cccc(-c7ccc8ccccc8c7)c6sc45)c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4ccc5c6cccc(-c7cccc8oc9ccccc9c78)c6sc5c4c3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c5cccc(-c6ccccc6)c5oc43)n2)cc1.

What is the InChIKey of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

The InChIKey is LOYTVQWWUHDDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3OS.C49H29N3S.2C37H23N3O/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)43-28-32-14-4-5-15-34(32)35-16-6-7-17-36(35)43)33-25-24-30-26-27-40-39-21-10-20-38(47(39)56-48(40)42(30)29-33)37-19-11-23-45-46(37)41-18-8-9-22-44(41)55-45;1-2-12-31(13-3-1)47-50-48(52-49(51-47)44-29-33-15-6-7-16-37(33)40-17-8-9-18-41(40)44)36-24-25-39-35(28-36)23-26-43-42-20-10-19-38(45(42)53-46(39)43)34-22-21-30-11-4-5-14-32(30)27-34;1-4-12-24(13-5-1)27-18-10-20-30-31-23-22-28-29(34(31)41-33(27)30)19-11-21-32(28)37-39-35(25-14-6-2-7-15-25)38-36(40-37)26-16-8-3-9-17-26;1-4-10-24(11-5-1)27-18-21-33-32(23-27)31-20-16-28-22-29(17-19-30(28)34(31)41-33)37-39-35(25-12-6-2-7-13-25)38-36(40-37)26-14-8-3-9-15-26/h1-29H;1-29H;2*1-23H.

What are the key properties of 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?

2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 2474.96 g/mol, XLogP of 46.97, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(10-dibenzofuran-1-ylnaphtho[1,2-b][1]benzothiol-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphtho[1,2-b][1]benzofuran-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-4-yl)-1,3,5-triazine;2-(10-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-3-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165023944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).