5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine

C74H70BBr2IN4O2 — CID 158908552

About 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine

5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine (PubChem CID 158908552) has the molecular formula C74H70BBr2IN4O2 and a molecular weight of 1344.92 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
• PubChem CID: 158908552
• Molecular Formula: C74H70BBr2IN4O2
• Molecular Weight: 1344.92 g/mol
• Exact Mass: 1342.30
• IUPAC Name: 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine
• SMILES: Brc1ccc(I)nc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(Br)cn4)ccc2-3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)cc1
• InChI: InChI=1S/C35H38BNO2.C34H29BrN2.C5H3BrIN/c1-23-9-14-26(15-10-23)37(27-16-11-24(2)12-17-27)28-18-20-30-29-19-13-25(21-31(29)33(3,4)32(30)22-28)36-38-34(5,6)35(7,8)39-36;1-22-5-11-26(12-6-22)37(27-13-7-23(2)8-14-27)28-15-17-30-29-16-9-24(33-18-10-25(35)21-36-33)19-31(29)34(3,4)32(30)20-28;6-4-1-2-5(7)8-3-4/h9-22H,1-8H3;5-21H,1-4H3;1-3H
• InChIKey: JGIWORGMFITXLA-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1344.92
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine?

The IUPAC name of 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine (CID 158908552) is 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine.

What is the SMILES notation for 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine?

The canonical SMILES for 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine is Brc1ccc(I)nc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(Br)cn4)ccc2-3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2-3)cc1.

What is the InChIKey of 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine?

The InChIKey is JGIWORGMFITXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38BNO2.C34H29BrN2.C5H3BrIN/c1-23-9-14-26(15-10-23)37(27-16-11-24(2)12-17-27)28-18-20-30-29-19-13-25(21-31(29)33(3,4)32(30)22-28)36-38-34(5,6)35(7,8)39-36;1-22-5-11-26(12-6-22)37(27-13-7-23(2)8-14-27)28-15-17-30-29-16-9-24(33-18-10-25(35)21-36-33)19-31(29)34(3,4)32(30)20-28;6-4-1-2-5(7)8-3-4/h9-22H,1-8H3;5-21H,1-4H3;1-3H.

What are the key properties of 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine?

5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine has a molecular weight of 1344.92 g/mol, XLogP of 20.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-iodopyridine;7-(5-bromo-2-pyridinyl)-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;9,9-dimethyl-N,N-bis(4-methylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine is sourced from PubChem (CID 158908552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).