3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine

C144H112F3N9S — CID 159971399

About 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine

3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine (PubChem CID 159971399) has the molecular formula C144H112F3N9S and a molecular weight of 2057.60 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
• PubChem CID: 159971399
• Molecular Formula: C144H112F3N9S
• Molecular Weight: 2057.60 g/mol
• Exact Mass: 2055.87
• IUPAC Name: 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
• SMILES: Cc1nc(C)c(C)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c4ccccc34)cc2)n1.Cc1nc(C)c(C)c(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)n1.Cc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)n1.Cc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)n1
• InChI: InChI=1S/C37H27N3S.C37H28N2.C36H27F3N2.C34H30N2/c1-22-23(2)38-24(3)39-37(22)27-14-17-34-31(21-27)30-19-25(13-16-33(30)40(34)28-9-5-4-6-10-28)26-15-18-36-32(20-26)29-11-7-8-12-35(29)41-36;1-23-24(2)38-25(3)39-37(23)30-13-9-12-28(21-30)26-10-8-11-27(20-26)29-18-19-35-33-16-5-4-14-31(33)32-15-6-7-17-34(32)36(35)22-29;1-22-23(2)40-24(3)41-35(22)29-14-12-28(13-15-29)32-21-20-31(33-6-4-5-7-34(32)33)27-10-8-25(9-11-27)26-16-18-30(19-17-26)36(37,38)39;1-21-22(2)35-23(3)36-33(21)28-13-9-12-26(19-28)24-10-8-11-25(18-24)27-16-17-30-29-14-6-7-15-31(29)34(4,5)32(30)20-27/h4-21H,1-3H3;4-22H,1-3H3;4-21H,1-3H3;6-20H,1-5H3
• InChIKey: OEOZXQUTDBCFED-UHFFFAOYSA-N
• XLogP: 39.01
• TPSA: 108.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2057.60
LogP ≤ 5	39.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The IUPAC name of 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine (CID 159971399) is 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine.

What is the SMILES notation for 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The canonical SMILES for 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine is Cc1nc(C)c(C)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c4ccccc34)cc2)n1.Cc1nc(C)c(C)c(-c2ccc3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccccc2)n1.Cc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)n1.Cc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)n1.

What is the InChIKey of 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The InChIKey is OEOZXQUTDBCFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3S.C37H28N2.C36H27F3N2.C34H30N2/c1-22-23(2)38-24(3)39-37(22)27-14-17-34-31(21-27)30-19-25(13-16-33(30)40(34)28-9-5-4-6-10-28)26-15-18-36-32(20-26)29-11-7-8-12-35(29)41-36;1-23-24(2)38-25(3)39-37(23)30-13-9-12-28(21-30)26-10-8-11-27(20-26)29-18-19-35-33-16-5-4-14-31(33)32-15-6-7-17-34(32)36(35)22-29;1-22-23(2)40-24(3)41-35(22)29-14-12-28(13-15-29)32-21-20-31(33-6-4-5-7-34(32)33)27-10-8-25(9-11-27)26-16-18-30(19-17-26)36(37,38)39;1-21-22(2)35-23(3)36-33(21)28-13-9-12-26(19-28)24-10-8-11-25(18-24)27-16-17-30-29-14-6-7-15-31(29)34(4,5)32(30)20-27/h4-21H,1-3H3;4-22H,1-3H3;4-21H,1-3H3;6-20H,1-5H3.

What are the key properties of 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 2057.60 g/mol, XLogP of 39.01, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-2-yl-9-phenyl-6-(2,5,6-trimethylpyrimidin-4-yl)carbazole;4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;2,4,5-trimethyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 159971399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).