4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole

C302H189N21OS3 — CID 161035838

About 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole

4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 161035838) has the molecular formula C302H189N21OS3 and a molecular weight of 4224.18 g/mol. Its IUPAC name is 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

• Compound Name: 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
• PubChem CID: 161035838
• Molecular Formula: C302H189N21OS3
• Molecular Weight: 4224.18 g/mol
• Exact Mass: 4220.45
• IUPAC Name: 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
• SMILES: c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5)cc4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(C4c5ccccc5-c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C53H35NS.C47H31N3.C45H29N3.C44H28N4.C40H23N3O.C40H23N3S.C33H20N4S/c1-3-12-40(13-4-1)50-34-46(35-51(54-50)41-14-5-2-6-15-41)44-18-9-16-42(32-44)38-28-24-36(25-29-38)37-26-30-39(31-27-37)43-17-10-19-45(33-43)47-21-11-22-49-48-20-7-8-23-52(48)55-53(47)49;1-3-15-31(16-4-1)42-30-43(32-17-5-2-6-18-32)49-47(48-42)34-27-33(46-40-23-9-7-19-36(40)37-20-8-10-24-41(37)46)28-35(29-34)50-44-25-13-11-21-38(44)39-22-12-14-26-45(39)50;1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-41-39-23-8-7-21-37(39)38-22-9-10-24-40(38)42(41)29-35;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;2*1-2-13-25(14-3-1)36-31-23-22-24-12-4-5-15-26(24)37(31)42-40(41-36)43-32-20-10-8-18-29(32)34-27-16-6-7-17-28(27)35-30-19-9-11-21-33(30)44-39(35)38(34)43;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37/h1-35H;1-30,46H;1-29H;1-28H;2*1-23H;1-20H
• InChIKey: UAFWNJXDJCDIRX-UHFFFAOYSA-N
• XLogP: 80.02
• TPSA: 236.07 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 327
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4224.18
LogP ≤ 5	80.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?

The IUPAC name of 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole (CID 161035838) is 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole.

What is the SMILES notation for 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?

The canonical SMILES for 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2cc(-c3cccc(-c4ccc(-c5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5)cc4)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(C4c5ccccc5-c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.

What is the InChIKey of 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?

The InChIKey is UAFWNJXDJCDIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NS.C47H31N3.C45H29N3.C44H28N4.C40H23N3O.C40H23N3S.C33H20N4S/c1-3-12-40(13-4-1)50-34-46(35-51(54-50)41-14-5-2-6-15-41)44-18-9-16-42(32-44)38-28-24-36(25-29-38)37-26-30-39(31-27-37)43-17-10-19-45(33-43)47-21-11-22-49-48-20-7-8-23-52(48)55-53(47)49;1-3-15-31(16-4-1)42-30-43(32-17-5-2-6-18-32)49-47(48-42)34-27-33(46-40-23-9-7-19-36(40)37-20-8-10-24-41(37)46)28-35(29-34)50-44-25-13-11-21-38(44)39-22-12-14-26-45(39)50;1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)36-20-12-19-34(28-36)32-17-11-18-33(27-32)35-25-26-41-39-23-8-7-21-37(39)38-22-9-10-24-40(38)42(41)29-35;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;2*1-2-13-25(14-3-1)36-31-23-22-24-12-4-5-15-26(24)37(31)42-40(41-36)43-32-20-10-8-18-29(32)34-27-16-6-7-17-28(27)35-30-19-9-11-21-33(30)44-39(35)38(34)43;1-3-11-21(12-4-1)31-34-32(22-13-5-2-6-14-22)36-33(35-31)37-27-17-9-7-15-23(27)25-19-20-26-24-16-8-10-18-28(24)38-30(26)29(25)37/h1-35H;1-30,46H;1-29H;1-28H;2*1-23H;1-20H.

What are the key properties of 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?

4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 4224.18 g/mol, XLogP of 80.02, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(9H-fluoren-9-yl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-phenylbenzo[h]quinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 161035838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).