2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine

C158H120F3N9O — CID 158355978

About 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine (PubChem CID 158355978) has the molecular formula C158H120F3N9O and a molecular weight of 2217.75 g/mol. Its IUPAC name is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
• PubChem CID: 158355978
• Molecular Formula: C158H120F3N9O
• Molecular Weight: 2217.75 g/mol
• Exact Mass: 2215.96
• IUPAC Name: 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
• SMILES: Cc1nc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c4ccccc34)cc2)nc(C)c1C.Cc1nc(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)nc(C)c1C.Cc1nc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)nc(C)c1C.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4cccc(-c5cccc(-c6nc(C)nc(C)c6C)c5)c4)ccc2-3)cc1
• InChI: InChI=1S/C51H35N3O.C37H28N2.C36H27F3N2.C34H30N2/c1-31-32(2)53-33(3)54-50(31)40-14-10-13-37(28-40)35-11-9-12-36(27-35)39-22-26-43-42-25-21-38(34-19-23-41(52-4)24-20-34)29-46(42)51(47(43)30-39)44-15-5-7-17-48(44)55-49-18-8-6-16-45(49)51;1-23-24(2)38-37(39-25(23)3)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)40-35(41-24(22)3)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)35-33(36-23(21)3)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/h5-30H,1-3H3;4-22H,1-3H3;4-21H,1-3H3;6-20H,1-5H3
• InChIKey: GSWQGIFQHALTSH-UHFFFAOYSA-N
• XLogP: 41.90
• TPSA: 116.71 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2217.75
LogP ≤ 5	41.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The IUPAC name of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine (CID 158355978) is 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine.

What is the SMILES notation for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The canonical SMILES for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine is Cc1nc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c4ccccc34)cc2)nc(C)c1C.Cc1nc(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)nc(C)c1C.Cc1nc(-c2cccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)c2)nc(C)c1C.[C-]#[N+]c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4cccc(-c5cccc(-c6nc(C)nc(C)c6C)c5)c4)ccc2-3)cc1.

What is the InChIKey of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

The InChIKey is GSWQGIFQHALTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O.C37H28N2.C36H27F3N2.C34H30N2/c1-31-32(2)53-33(3)54-50(31)40-14-10-13-37(28-40)35-11-9-12-36(27-35)39-22-26-43-42-25-21-38(34-19-23-41(52-4)24-20-34)29-46(42)51(47(43)30-39)44-15-5-7-17-48(44)55-49-18-8-6-16-45(49)51;1-23-24(2)38-37(39-25(23)3)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)40-35(41-24(22)3)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)35-33(36-23(21)3)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/h5-30H,1-3H3;4-22H,1-3H3;4-21H,1-3H3;6-20H,1-5H3.

What are the key properties of 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine?

2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine has a molecular weight of 2217.75 g/mol, XLogP of 41.90, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,5,6-trimethylpyrimidine;4-[3-[3-[7-(4-isocyanophenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;4,5,6-trimethyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine;4,5,6-trimethyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 158355978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).