2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine

C135H83N9OS2 — CID 167579224

About 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine (PubChem CID 167579224) has the molecular formula C135H83N9OS2 and a molecular weight of 1911.34 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine
• PubChem CID: 167579224
• Molecular Formula: C135H83N9OS2
• Molecular Weight: 1911.34 g/mol
• Exact Mass: 1909.62
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc5oc6c7ccccc7ccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4sc5c6ccccc6ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4sc5c6ccccc6ccc5c34)n2)cc1
• InChI: InChI=1S/C49H31N3O.C45H27N3S.C41H25N3S/c1-4-13-32(14-5-1)35-23-25-37(26-24-35)47-50-48(40-30-38(33-15-6-2-7-16-33)29-39(31-40)34-17-8-3-9-18-34)52-49(51-47)43-21-12-22-44-45(43)42-28-27-36-19-10-11-20-41(36)46(42)53-44;1-2-12-31(13-3-1)43-46-44(32-21-18-29(19-22-32)34-23-20-28-10-4-5-14-33(28)26-34)48-45(47-43)39-27-35-15-7-9-17-37(35)42-40(39)38-25-24-30-11-6-8-16-36(30)41(38)49-42;1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36/h1-31H;1-27H;1-25H
• InChIKey: GYIUAEGBFZZFSE-UHFFFAOYSA-N
• XLogP: 36.51
• TPSA: 129.15 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.34
LogP ≤ 5	36.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine?

The IUPAC name of 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine (CID 167579224) is 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine?

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc5oc6c7ccccc7ccc6c45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4sc5c6ccccc6ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4sc5c6ccccc6ccc5c34)n2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine?

The InChIKey is GYIUAEGBFZZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O.C45H27N3S.C41H25N3S/c1-4-13-32(14-5-1)35-23-25-37(26-24-35)47-50-48(40-30-38(33-15-6-2-7-16-33)29-39(31-40)34-17-8-3-9-18-34)52-49(51-47)43-21-12-22-44-45(43)42-28-27-36-19-10-11-20-41(36)46(42)53-44;1-2-12-31(13-3-1)43-46-44(32-21-18-29(19-22-32)34-23-20-28-10-4-5-14-33(28)26-34)48-45(47-43)39-27-35-15-7-9-17-37(35)42-40(39)38-25-24-30-11-6-8-16-36(30)41(38)49-42;1-2-11-29(12-3-1)39-42-40(30-20-17-27(18-21-30)32-22-19-26-9-4-5-13-31(26)25-32)44-41(43-39)35-15-8-16-36-37(35)34-24-23-28-10-6-7-14-33(28)38(34)45-36/h1-31H;1-27H;1-25H.

What are the key properties of 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine?

2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine has a molecular weight of 1911.34 g/mol, XLogP of 36.51, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 167579224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).