2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine

C120H94BBr3Cl2N16O3 — CID 165095450

About 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine

2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine (PubChem CID 165095450) has the molecular formula C120H94BBr3Cl2N16O3 and a molecular weight of 2129.61 g/mol. Its IUPAC name is 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
• PubChem CID: 165095450
• Molecular Formula: C120H94BBr3Cl2N16O3
• Molecular Weight: 2129.61 g/mol
• Exact Mass: 2124.47
• IUPAC Name: 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
• SMILES: Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.C.CC1(C)OB(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)OC1(C)C.Clc1nc(Cl)nc(-c2ccccc2)n1.Nc1ccccn1.O=C(c1ccc(Br)cc1)C(Br)c1ccccc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)n2)cc1
• InChI: InChI=1S/C47H31N7.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C9H5Cl2N3.C5H6N2.CH4/c1-4-14-34(15-5-1)43-41(48-39-20-10-12-30-53(39)43)32-22-26-37(27-23-32)46-50-45(36-18-8-3-9-19-36)51-47(52-46)38-28-24-33(25-29-38)42-44(35-16-6-2-7-17-35)54-31-13-11-21-40(54)49-42;1-24(2)25(3,4)30-26(29-24)20-15-13-18(14-16-20)22-23(19-10-6-5-7-11-19)28-17-9-8-12-21(28)27-22;20-16-11-9-14(10-12-16)18-19(15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18;15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;/h1-31H;5-17H,1-4H3;1-13H;1-9,13H;1-5H;1-4H,(H2,6,7);1H4
• InChIKey: XKQBCRBTDGRDMG-UHFFFAOYSA-N
• XLogP: 30.15
• TPSA: 220.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.61
LogP ≤ 5	30.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?

The IUPAC name of 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine (CID 165095450) is 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine.

What is the SMILES notation for 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?

The canonical SMILES for 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine is Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.C.CC1(C)OB(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)OC1(C)C.Clc1nc(Cl)nc(-c2ccccc2)n1.Nc1ccccn1.O=C(c1ccc(Br)cc1)C(Br)c1ccccc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)n2)cc1.

What is the InChIKey of 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?

The InChIKey is XKQBCRBTDGRDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N7.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C9H5Cl2N3.C5H6N2.CH4/c1-4-14-34(15-5-1)43-41(48-39-20-10-12-30-53(39)43)32-22-26-37(27-23-32)46-50-45(36-18-8-3-9-19-36)51-47(52-46)38-28-24-33(25-29-38)42-44(35-16-6-2-7-17-35)54-31-13-11-21-40(54)49-42;1-24(2)25(3,4)30-26(29-24)20-15-13-18(14-16-20)22-23(19-10-6-5-7-11-19)28-17-9-8-12-21(28)27-22;20-16-11-9-14(10-12-16)18-19(15-6-2-1-3-7-15)22-13-5-4-8-17(22)21-18;15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;6-5-3-1-2-4-7-5;/h1-31H;5-17H,1-4H3;1-13H;1-9,13H;1-5H;1-4H,(H2,6,7);1H4.

What are the key properties of 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?

2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine has a molecular weight of 2129.61 g/mol, XLogP of 30.15, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,4-dichloro-6-phenyl-1,3,5-triazine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine is sourced from PubChem (CID 165095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).