8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C167H101N15OS — CID 159847142

About 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 159847142) has the molecular formula C167H101N15OS and a molecular weight of 2365.82 g/mol. Its IUPAC name is 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 159847142
• Molecular Formula: C167H101N15OS
• Molecular Weight: 2365.82 g/mol
• Exact Mass: 2363.80
• IUPAC Name: 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5cccc6cccc4c56)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5ccc(N6c7ccccc7-c7cccc8cccc6c78)c6ccccc56)n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6cc(N7c8ccccc8-c8cccc9cccc7c89)ccc6c5)nc(-c5cccc6c5oc5ccccc56)n4)cc32)cc1
• InChI: InChI=1S/C65H40N6.C59H35N5O.C43H26N4S/c1-3-19-44(20-4-1)69-55-29-12-10-26-49(55)53-39-42(33-36-59(53)69)63-66-64(43-34-37-60-54(40-43)50-27-11-13-30-56(50)70(60)45-21-5-2-6-22-45)68-65(67-63)52-35-38-58(47-24-8-7-23-46(47)52)71-57-31-14-9-25-48(57)51-28-15-17-41-18-16-32-61(71)62(41)51;1-2-15-41(16-3-1)63-50-23-7-4-17-43(50)45-32-30-40(35-53(45)63)58-60-57(61-59(62-58)49-22-12-21-48-46-19-6-9-26-54(46)65-56(48)49)39-28-27-38-34-42(31-29-37(38)33-39)64-51-24-8-5-18-44(51)47-20-10-13-36-14-11-25-52(64)55(36)47;1-2-11-28(12-3-1)41-44-42(46-43(45-41)34-18-10-22-38-40(34)33-16-5-7-21-37(33)48-38)29-23-25-30(26-24-29)47-35-19-6-4-15-31(35)32-17-8-13-27-14-9-20-36(47)39(27)32/h1-40H;1-35H;1-26H
• InChIKey: NPLJGFBMXUZDCI-UHFFFAOYSA-N
• XLogP: 44.29
• TPSA: 153.66 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.82
LogP ≤ 5	44.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 159847142) is 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-c2nc(-c3ccc(N4c5ccccc5-c5cccc6cccc4c56)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5ccc(N6c7ccccc7-c7cccc8cccc6c78)c6ccccc56)n4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6cc(N7c8ccccc8-c8cccc9cccc7c89)ccc6c5)nc(-c5cccc6c5oc5ccccc56)n4)cc32)cc1.

What is the InChIKey of 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is NPLJGFBMXUZDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N6.C59H35N5O.C43H26N4S/c1-3-19-44(20-4-1)69-55-29-12-10-26-49(55)53-39-42(33-36-59(53)69)63-66-64(43-34-37-60-54(40-43)50-27-11-13-30-56(50)70(60)45-21-5-2-6-22-45)68-65(67-63)52-35-38-58(47-24-8-7-23-46(47)52)71-57-31-14-9-25-48(57)51-28-15-17-41-18-16-32-61(71)62(41)51;1-2-15-41(16-3-1)63-50-23-7-4-17-43(50)45-32-30-40(35-53(45)63)58-60-57(61-59(62-58)49-22-12-21-48-46-19-6-9-26-54(46)65-56(48)49)39-28-27-38-34-42(31-29-37(38)33-39)64-51-24-8-5-18-44(51)47-20-10-13-36-14-11-25-52(64)55(36)47;1-2-11-28(12-3-1)41-44-42(46-43(45-41)34-18-10-22-38-40(34)33-16-5-7-21-37(33)48-38)29-23-25-30(26-24-29)47-35-19-6-4-15-31(35)32-17-8-13-27-14-9-20-36(47)39(27)32/h1-40H;1-35H;1-26H.

What are the key properties of 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 2365.82 g/mol, XLogP of 44.29, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[6-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 159847142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).