2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid

C110H81B2Br3N10O4 — CID 159547667

About 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid

2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid (PubChem CID 159547667) has the molecular formula C110H81B2Br3N10O4 and a molecular weight of 1868.26 g/mol. Its IUPAC name is 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid.

Molecular Properties

• Compound Name: 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid
• PubChem CID: 159547667
• Molecular Formula: C110H81B2Br3N10O4
• Molecular Weight: 1868.26 g/mol
• Exact Mass: 1864.42
• IUPAC Name: 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid
• SMILES: Brc1cccc(Br)n1.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(-c5ccc(C#N)cc5)n4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.[C-]#[N+]c1ccc(-c2cccc(Br)n2)cc1.[C-]#[N+]c1ccc(B(O)O)cc1
• InChI: InChI=1S/C46H30N4.C40H35BN2O2.C12H7BrN2.C7H6BNO2.C5H3Br2N/c1-28-41-35-16-9-10-17-39(35)49-45(32-12-5-3-6-13-32)43(41)29(2)42-36-25-24-34(26-40(36)50-46(44(28)42)33-14-7-4-8-15-33)38-19-11-18-37(48-38)31-22-20-30(27-47)21-23-31;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;1-14-10-7-5-9(6-8-10)11-3-2-4-12(13)15-11;1-9-7-4-2-6(3-5-7)8(10)11;6-4-2-1-3-5(7)8-4/h3-26H,1-2H3;7-23H,1-6H3;2-8H;2-5,10-11H;1-3H
• InChIKey: MEZRIARPSAWJLV-UHFFFAOYSA-N
• XLogP: 27.57
• TPSA: 181.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.26
LogP ≤ 5	27.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid?

The IUPAC name of 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid (CID 159547667) is 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid.

What is the SMILES notation for 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid?

The canonical SMILES for 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid is Brc1cccc(Br)n1.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(-c5ccc(C#N)cc5)n4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.[C-]#[N+]c1ccc(-c2cccc(Br)n2)cc1.[C-]#[N+]c1ccc(B(O)O)cc1.

What is the InChIKey of 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid?

The InChIKey is MEZRIARPSAWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C40H35BN2O2.C12H7BrN2.C7H6BNO2.C5H3Br2N/c1-28-41-35-16-9-10-17-39(35)49-45(32-12-5-3-6-13-32)43(41)29(2)42-36-25-24-34(26-40(36)50-46(44(28)42)33-14-7-4-8-15-33)38-19-11-18-37(48-38)31-22-20-30(27-47)21-23-31;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;1-14-10-7-5-9(6-8-10)11-3-2-4-12(13)15-11;1-9-7-4-2-6(3-5-7)8(10)11;6-4-2-1-3-5(7)8-4/h3-26H,1-2H3;7-23H,1-6H3;2-8H;2-5,10-11H;1-3H.

What are the key properties of 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid?

2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid has a molecular weight of 1868.26 g/mol, XLogP of 27.57, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(4-isocyanophenyl)pyridine;2,6-dibromopyridine;4-[6-(7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridin-3-yl)-2-pyridinyl]benzonitrile;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine;(4-isocyanophenyl)boronic acid is sourced from PubChem (CID 159547667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).