2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine

C97H64Br4N12 — CID 158215999

About 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine

2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine (PubChem CID 158215999) has the molecular formula C97H64Br4N12 and a molecular weight of 1722.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine
• PubChem CID: 158215999
• Molecular Formula: C97H64Br4N12
• Molecular Weight: 1722.31 g/mol
• Exact Mass: 1717.24
• IUPAC Name: 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine
• SMILES: Brc1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccnc3n2)cc1.Brc1cccc(-c2nc(-c3ccccc3)c3cccnc3n2)c1.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(Br)cc4)nc4ncccc34)cc21.[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(Br)c3)nc3ncccc23)c([2H])c1[2H]
• InChI: InChI=1S/C31H20BrN3.C28H20BrN3.2C19H12BrN3/c32-27-15-13-23(14-16-27)30-34-29(28-12-7-17-33-31(28)35-30)26-19-24(21-8-3-1-4-9-21)18-25(20-26)22-10-5-2-6-11-22;1-28(2)23-8-4-3-6-20(23)21-14-11-18(16-24(21)28)25-22-7-5-15-30-27(22)32-26(31-25)17-9-12-19(29)13-10-17;2*20-15-9-4-8-14(12-15)18-22-17(13-6-2-1-3-7-13)16-10-5-11-21-19(16)23-18/h1-20H;3-16H,1-2H3;2*1-12H/i;;1D,2D,3D,6D,7D
• InChIKey: GCQOVTISWFGWQH-WYCUBYBBSA-N
• XLogP: 26.13
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1722.31
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine?

The IUPAC name of 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine (CID 158215999) is 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine.

What is the SMILES notation for 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine?

The canonical SMILES for 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine is Brc1ccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccnc3n2)cc1.Brc1cccc(-c2nc(-c3ccccc3)c3cccnc3n2)c1.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(Br)cc4)nc4ncccc34)cc21.[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc(Br)c3)nc3ncccc23)c([2H])c1[2H].

What is the InChIKey of 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine?

The InChIKey is GCQOVTISWFGWQH-WYCUBYBBSA-N. The full InChI is InChI=1S/C31H20BrN3.C28H20BrN3.2C19H12BrN3/c32-27-15-13-23(14-16-27)30-34-29(28-12-7-17-33-31(28)35-30)26-19-24(21-8-3-1-4-9-21)18-25(20-26)22-10-5-2-6-11-22;1-28(2)23-8-4-3-6-20(23)21-14-11-18(16-24(21)28)25-22-7-5-15-30-27(22)32-26(31-25)17-9-12-19(29)13-10-17;2*20-15-9-4-8-14(12-15)18-22-17(13-6-2-1-3-7-13)16-10-5-11-21-19(16)23-18/h1-20H;3-16H,1-2H3;2*1-12H/i;;1D,2D,3D,6D,7D;.

What are the key properties of 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine?

2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine has a molecular weight of 1722.31 g/mol, XLogP of 26.13, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 158215999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).