5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine

C₂₂₀H₁₃₅N₃₃O₃S₄ — CID 159002217

About 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine

5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine (PubChem CID 159002217) has the molecular formula C₂₂₀H₁₃₅N₃₃O₃S₄ and a molecular weight of 3417.00 g/mol. Its IUPAC name is 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
• PubChem CID: 159002217
• Molecular Formula: C₂₂₀H₁₃₅N₃₃O₃S₄
• Molecular Weight: 3417.00 g/mol
• Exact Mass: 3414.03
• IUPAC Name: 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine
• SMILES: Cc1cc(-c2cnccc2-c2nccs2)cc2c3cccc(-c4cccc5c6cc(-c7cnccc7-c7nccs7)cc(C)c6n(-c6ccccc6)c45)c3n(-c3ccccc3)c12.c1ccc(-c2ccc3oc4ccc(Cc5ccc6oc7ccc(-c8cc(-c9nncn9-c9ccccn9)cc(-c9nncn9-c9ccccn9)c8)cc7c6c5)cc4c3c2)nc1.c1ccc(-c2ncnc(-c3ccc4c(c3)c3cnccc3n4-c3cccc(-c4cccc5c4oc4c(-c6cccc(-n7c8ccc(-c9ncnc(-c%10ccccc%10)n9)cc8c8cc(-c9ncnc(-c%10ccccc%10)n9)ccc87)c6)cccc45)c3)n2)cc1.c1ccc(-c2ncncn2)c(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-c8ccccc8-c8ncncn8)cc7c6c5)cc4c3c2)c1
• InChI: InChI=1S/C74H44N12O.C54H36N6S2.C50H31N9O2.C42H24N6S2/c1-4-14-45(15-5-1)69-76-42-79-72(82-69)50-28-31-63-59(38-50)60-39-51(73-80-43-77-70(83-73)46-16-6-2-7-17-46)29-32-64(60)85(63)53-22-10-20-48(36-53)55-24-12-26-57-58-27-13-25-56(68(58)87-67(55)57)49-21-11-23-54(37-49)86-65-33-30-52(40-61(65)62-41-75-35-34-66(62)86)74-81-44-78-71(84-74)47-18-8-3-9-19-47;1-33-27-35(47-31-55-21-19-43(47)53-57-23-25-61-53)29-45-41-17-9-15-39(51(41)59(49(33)45)37-11-5-3-6-12-37)40-16-10-18-42-46-30-36(48-32-56-22-20-44(48)54-58-24-26-62-54)28-34(2)50(46)60(52(40)42)38-13-7-4-8-14-38;1-4-18-51-42(7-1)34-13-17-46-41(28-34)39-23-32(11-15-44(39)61-46)21-31-10-14-43-38(22-31)40-27-33(12-16-45(40)60-43)35-24-36(49-56-54-29-58(49)47-8-2-5-19-52-47)26-37(25-35)50-57-55-30-59(50)48-9-3-6-20-53-48;1-3-7-31(41-45-21-43-22-46-41)29(5-1)27-11-15-39-35(19-27)33-17-25(9-13-37(33)49-39)26-10-14-38-34(18-26)36-20-28(12-16-40(36)50-38)30-6-2-4-8-32(30)42-47-23-44-24-48-42/h1-44H;3-32H,1-2H3;1-20,22-30H,21H2;1-24H
• InChIKey: JRMAGKHCYDSZLR-UHFFFAOYSA-N
• XLogP: 53.82
• TPSA: 417.03 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3417.00
LogP ≤ 5	53.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine?

The IUPAC name of 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine (CID 159002217) is 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine is Cc1cc(-c2cnccc2-c2nccs2)cc2c3cccc(-c4cccc5c6cc(-c7cnccc7-c7nccs7)cc(C)c6n(-c6ccccc6)c45)c3n(-c3ccccc3)c12.c1ccc(-c2ccc3oc4ccc(Cc5ccc6oc7ccc(-c8cc(-c9nncn9-c9ccccn9)cc(-c9nncn9-c9ccccn9)c8)cc7c6c5)cc4c3c2)nc1.c1ccc(-c2ncnc(-c3ccc4c(c3)c3cnccc3n4-c3cccc(-c4cccc5c4oc4c(-c6cccc(-n7c8ccc(-c9ncnc(-c%10ccccc%10)n9)cc8c8cc(-c9ncnc(-c%10ccccc%10)n9)ccc87)c6)cccc45)c3)n2)cc1.c1ccc(-c2ncncn2)c(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-c8ccccc8-c8ncncn8)cc7c6c5)cc4c3c2)c1.

What is the InChIKey of 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine?

The InChIKey is JRMAGKHCYDSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N12O.C54H36N6S2.C50H31N9O2.C42H24N6S2/c1-4-14-45(15-5-1)69-76-42-79-72(82-69)50-28-31-63-59(38-50)60-39-51(73-80-43-77-70(83-73)46-16-6-2-7-17-46)29-32-64(60)85(63)53-22-10-20-48(36-53)55-24-12-26-57-58-27-13-25-56(68(58)87-67(55)57)49-21-11-23-54(37-49)86-65-33-30-52(40-61(65)62-41-75-35-34-66(62)86)74-81-44-78-71(84-74)47-18-8-3-9-19-47;1-33-27-35(47-31-55-21-19-43(47)53-57-23-25-61-53)29-45-41-17-9-15-39(51(41)59(49(33)45)37-11-5-3-6-12-37)40-16-10-18-42-46-30-36(48-32-56-22-20-44(48)54-58-24-26-62-54)28-34(2)50(46)60(52(40)42)38-13-7-4-8-14-38;1-4-18-51-42(7-1)34-13-17-46-41(28-34)39-23-32(11-15-44(39)61-46)21-31-10-14-43-38(22-31)40-27-33(12-16-45(40)60-43)35-24-36(49-56-54-29-58(49)47-8-2-5-19-52-47)26-37(25-35)50-57-55-30-59(50)48-9-3-6-20-53-48;1-3-7-31(41-45-21-43-22-46-41)29(5-1)27-11-15-39-35(19-27)33-17-25(9-13-37(33)49-39)26-10-14-38-34(18-26)36-20-28(12-16-40(36)50-38)30-6-2-4-8-32(30)42-47-23-44-24-48-42/h1-44H;3-32H,1-2H3;1-20,22-30H,21H2;1-24H.

What are the key properties of 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine?

5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 3417.00 g/mol, XLogP of 53.82, 30 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[3-[3,6-bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole;2-[8-[[8-[3,5-bis(4-pyridin-2-yl-1,2,4-triazol-3-yl)phenyl]dibenzofuran-2-yl]methyl]dibenzofuran-2-yl]pyridine;2-[3-[1-methyl-8-[8-methyl-9-phenyl-6-[4-(1,3-thiazol-2-yl)-3-pyridinyl]carbazol-1-yl]-9-phenylcarbazol-3-yl]-4-pyridinyl]-1,3-thiazole;2-[2-[8-[8-[2-(1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159002217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159002217 — identifiers, structure, computed properties (public domain)

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