2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole

C83H56Br2N12O2 — CID 158172921

About 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole

2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole (PubChem CID 158172921) has the molecular formula C83H56Br2N12O2 and a molecular weight of 1413.25 g/mol. Its IUPAC name is 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole
• PubChem CID: 158172921
• Molecular Formula: C83H56Br2N12O2
• Molecular Weight: 1413.25 g/mol
• Exact Mass: 1410.30
• IUPAC Name: 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole
• SMILES: Brc1cccc(Br)n1.Cc1cccc(OC=O)n1.c1ccc(-c2ccccc2-c2ccc3[nH]c4ccncc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cncc(-n3c4ccncc4c4cc(-c5ccccc5-c5ccccn5)ccc43)c2)nc1
• InChI: InChI=1S/C49H31N7.C22H15N3.C7H7NO2.C5H3Br2N/c1-3-11-38(44-13-5-7-21-53-44)36(9-1)32-15-17-46-40(25-32)42-30-50-23-19-48(42)55(46)34-27-35(29-52-28-34)56-47-18-16-33(26-41(47)43-31-51-24-20-49(43)56)37-10-2-4-12-39(37)45-14-6-8-22-54-45;1-2-6-17(20-7-3-4-11-24-20)16(5-1)15-8-9-21-18(13-15)19-14-23-12-10-22(19)25-21;1-6-3-2-4-7(8-6)10-5-9;6-4-2-1-3-5(7)8-4/h1-31H;1-14,25H;2-5H,1H3;1-3H
• InChIKey: FXRFVCSDNIXUPV-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 167.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.25
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole?

The IUPAC name of 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole (CID 158172921) is 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole?

The canonical SMILES for 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole is Brc1cccc(Br)n1.Cc1cccc(OC=O)n1.c1ccc(-c2ccccc2-c2ccc3[nH]c4ccncc4c3c2)nc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2cncc(-n3c4ccncc4c4cc(-c5ccccc5-c5ccccn5)ccc43)c2)nc1.

What is the InChIKey of 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole?

The InChIKey is FXRFVCSDNIXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7.C22H15N3.C7H7NO2.C5H3Br2N/c1-3-11-38(44-13-5-7-21-53-44)36(9-1)32-15-17-46-40(25-32)42-30-50-23-19-48(42)55(46)34-27-35(29-52-28-34)56-47-18-16-33(26-41(47)43-31-51-24-20-49(43)56)37-10-2-4-12-39(37)45-14-6-8-22-54-45;1-2-6-17(20-7-3-4-11-24-20)16(5-1)15-8-9-21-18(13-15)19-14-23-12-10-22(19)25-21;1-6-3-2-4-7(8-6)10-5-9;6-4-2-1-3-5(7)8-4/h1-31H;1-14,25H;2-5H,1H3;1-3H.

What are the key properties of 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole?

2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole has a molecular weight of 1413.25 g/mol, XLogP of 20.50, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dibromopyridine;(6-methyl-2-pyridinyl) formate;8-(2-pyridin-2-ylphenyl)-5-[5-[8-(2-pyridin-2-ylphenyl)pyrido[4,3-b]indol-5-yl]-3-pyridinyl]pyrido[4,3-b]indole;8-(2-pyridin-2-ylphenyl)-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 158172921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).