5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

C215H142N18S — CID 164991274

About 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 164991274) has the molecular formula C215H142N18S and a molecular weight of 3009.69 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
• PubChem CID: 164991274
• Molecular Formula: C215H142N18S
• Molecular Weight: 3009.69 g/mol
• Exact Mass: 3007.14
• IUPAC Name: 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C46H28N4.C45H28N4S.C45H29N3.C42H30N4.C37H27N3/c1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-40-26-14-10-21-33(40)34-27-28-39-41(42(34)50)35-22-9-13-25-38(35)46(39)36-23-11-7-19-31(36)32-20-8-12-24-37(32)46;1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-19-12-20-34(28-33)49-39-23-9-7-21-35(39)37-25-26-38-36-22-8-10-24-40(36)50-42(38)41(37)49;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;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;1-37(2)30-19-11-9-17-26(30)28-21-29-27-18-10-12-20-34(27)40(35(29)22-31(28)37)36-38-32(24-13-5-3-6-14-24)23-33(39-36)25-15-7-4-8-16-25/h2*1-28H;1-29H;3-26H,1-2H3;3-23H,1-2H3
• InChIKey: GWTFMKUHZYAELL-UHFFFAOYSA-N
• XLogP: 53.81
• TPSA: 200.18 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3009.69
LogP ≤ 5	53.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?

The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole (CID 164991274) is 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole.

What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?

The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.

What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?

The InChIKey is GWTFMKUHZYAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4.C45H28N4S.C45H29N3.C42H30N4.C37H27N3/c1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-40-26-14-10-21-33(40)34-27-28-39-41(42(34)50)35-22-9-13-25-38(35)46(39)36-23-11-7-19-31(36)32-20-8-12-24-37(32)46;1-3-13-29(14-4-1)31-17-11-18-32(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)33-19-12-20-34(28-33)49-39-23-9-7-21-35(39)37-25-26-38-36-22-8-10-24-40(36)50-42(38)41(37)49;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;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;1-37(2)30-19-11-9-17-26(30)28-21-29-27-18-10-12-20-34(27)40(35(29)22-31(28)37)36-38-32(24-13-5-3-6-14-24)23-33(39-36)25-15-7-4-8-16-25/h2*1-28H;1-29H;3-26H,1-2H3;3-23H,1-2H3.

What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole?

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 3009.69 g/mol, XLogP of 53.81, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 164991274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).