9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole

C198H121N17OS2 — CID 160516094

About 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole

9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 160516094) has the molecular formula C198H121N17OS2 and a molecular weight of 2818.40 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
• PubChem CID: 160516094
• Molecular Formula: C198H121N17OS2
• Molecular Weight: 2818.40 g/mol
• Exact Mass: 2815.94
• IUPAC Name: 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2ncnc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1
• InChI: InChI=1S/C46H30N4.C45H29N3.C40H23N3O.C40H23N3S.C27H16N4S/c1-3-15-31(16-4-1)40-30-41(32-17-5-2-6-18-32)48-46(47-40)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(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;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;1-2-8-17(9-3-1)26-28-16-29-27(30-26)31-22-12-6-4-10-18(22)20-14-15-21-19-11-5-7-13-23(19)32-25(21)24(20)31/h1-30H;1-29H;2*1-23H;1-16H
• InChIKey: QTRFSWKDDOWKCC-UHFFFAOYSA-N
• XLogP: 52.01
• TPSA: 192.47 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2818.40
LogP ≤ 5	52.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole (CID 160516094) is 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2ccc2ccccc23)cc1.c1ccc(-c2ncnc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

The InChIKey is QTRFSWKDDOWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C45H29N3.C40H23N3O.C40H23N3S.C27H16N4S/c1-3-15-31(16-4-1)40-30-41(32-17-5-2-6-18-32)48-46(47-40)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(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;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;1-2-8-17(9-3-1)26-28-16-29-27(30-26)31-22-12-6-4-10-18(22)20-14-15-21-19-11-5-7-13-23(19)32-25(21)24(20)31/h1-30H;1-29H;2*1-23H;1-16H.

What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole?

9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2818.40 g/mol, XLogP of 52.01, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]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;12-(4-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 160516094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).