6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C206H126N24O4 — CID 163586032

About 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 163586032) has the molecular formula C206H126N24O4 and a molecular weight of 3001.44 g/mol. Its IUPAC name is 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 163586032
• Molecular Formula: C206H126N24O4
• Molecular Weight: 3001.44 g/mol
• Exact Mass: 2999.04
• IUPAC Name: 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc4)c4oc5ncccc5c4n3)cc2)cc1.c1ccc(-c2cnc3oc4c(-c5ccc(-c6ccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cccc7c6)cc5)nc(-c5ccccc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4c(-c5ccc(-c6cccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cccc67)cc5)nc(-c5ccccc5)nc4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc(-c6ncnc7c6oc6ncc(-c8ccc9ccccc9c8)cc67)cc5)ccc34)n2)cc1
• InChI: InChI=1S/3C52H32N6O.C50H30N6O/c1-5-15-33(16-6-1)39-31-44-46-47(59-52(44)53-32-39)45(54-48(55-46)36-17-7-2-8-18-36)35-29-27-34(28-30-35)40-23-13-25-42-41(40)24-14-26-43(42)51-57-49(37-19-9-3-10-20-37)56-50(58-51)38-21-11-4-12-22-38;1-5-14-33(15-6-1)41-31-44-46-47(59-52(44)53-32-41)45(54-48(55-46)36-16-7-2-8-17-36)35-26-24-34(25-27-35)39-28-29-42-40(30-39)22-13-23-43(42)51-57-49(37-18-9-3-10-19-37)56-50(58-51)38-20-11-4-12-21-38;1-4-13-33(14-5-1)34-24-30-39(31-25-34)48-54-45(47-46(55-48)44-23-12-32-53-52(44)59-47)36-28-26-35(27-29-36)40-19-10-21-42-41(40)20-11-22-43(42)51-57-49(37-15-6-2-7-16-37)56-50(58-51)38-17-8-3-9-18-38;1-3-11-34(12-4-1)47-54-48(35-13-5-2-6-14-35)56-49(55-47)42-17-9-16-39-27-37(24-25-41(39)42)32-18-21-33(22-19-32)44-46-45(53-30-52-44)43-28-40(29-51-50(43)57-46)38-23-20-31-10-7-8-15-36(31)26-38/h3*1-32H;1-30H
• InChIKey: GLNVVPGLPPBXCO-UHFFFAOYSA-N
• XLogP: 50.60
• TPSA: 361.92 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 27
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3001.44
LogP ≤ 5	50.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 163586032) is 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc4)c4oc5ncccc5c4n3)cc2)cc1.c1ccc(-c2cnc3oc4c(-c5ccc(-c6ccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cccc7c6)cc5)nc(-c5ccccc5)nc4c3c2)cc1.c1ccc(-c2cnc3oc4c(-c5ccc(-c6cccc7c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cccc67)cc5)nc(-c5ccccc5)nc4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-c5ccc(-c6ncnc7c6oc6ncc(-c8ccc9ccccc9c8)cc67)cc5)ccc34)n2)cc1.

What is the InChIKey of 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is GLNVVPGLPPBXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N6O.C50H30N6O/c1-5-15-33(16-6-1)39-31-44-46-47(59-52(44)53-32-39)45(54-48(55-46)36-17-7-2-8-18-36)35-29-27-34(28-30-35)40-23-13-25-42-41(40)24-14-26-43(42)51-57-49(37-19-9-3-10-20-37)56-50(58-51)38-21-11-4-12-22-38;1-5-14-33(15-6-1)41-31-44-46-47(59-52(44)53-32-41)45(54-48(55-46)36-16-7-2-8-17-36)35-26-24-34(25-27-35)39-28-29-42-40(30-39)22-13-23-43(42)51-57-49(37-18-9-3-10-19-37)56-50(58-51)38-20-11-4-12-21-38;1-4-13-33(14-5-1)34-24-30-39(31-25-34)48-54-45(47-46(55-48)44-23-12-32-53-52(44)59-47)36-28-26-35(27-29-36)40-19-10-21-42-41(40)20-11-22-43(42)51-57-49(37-15-6-2-7-16-37)56-50(58-51)38-17-8-3-9-18-38;1-3-11-34(12-4-1)47-54-48(35-13-5-2-6-14-35)56-49(55-47)42-17-9-16-39-27-37(24-25-41(39)42)32-18-21-33(22-19-32)44-46-45(53-30-52-44)43-28-40(29-51-50(43)57-46)38-23-20-31-10-7-8-15-36(31)26-38/h3*1-32H;1-30H.

What are the key properties of 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3001.44 g/mol, XLogP of 50.60, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-4,12-diphenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-12-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;6-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-4-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 163586032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).