2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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

C124H98BBr3Cl2N12O3 — CID 165075354

IUPAC2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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
SMILESBrc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.C.CC1(C)OB(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccc(Br)cc1)C(Br)c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C49H33N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-37(27-23-35)46-48(39-16-6-2-7-17-39)53-30-12-10-20-44(53)51-46)50-43(33-41)36-24-28-38(29-25-36)47-49(40-18-8-3-9-19-40)54-31-13-11-21-45(54)52-47;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;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33H;5-17H,1-4H3;1-13H;1-9,13H;1-7H;1-4H,(H2,6,7);1H4
InChIKeyUFHNRZWXYXEHJN-UHFFFAOYSA-N
MW2125.66 g/mol
LogP32.57
Rot. Bonds16

About 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 165075354) has the molecular formula C124H98BBr3Cl2N12O3 and a molecular weight of 2125.66 g/mol. Its IUPAC name is 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 Name2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 CID165075354
Molecular FormulaC124H98BBr3Cl2N12O3
Molecular Weight2125.66 g/mol
Exact Mass2120.49
IUPAC Name2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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
SMILESBrc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1.C.CC1(C)OB(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccc(Br)cc1)C(Br)c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C49H33N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-37(27-23-35)46-48(39-16-6-2-7-17-39)53-30-12-10-20-44(53)51-46)50-43(33-41)36-24-28-38(29-25-36)47-49(40-18-8-3-9-19-40)54-31-13-11-21-45(54)52-47;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;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33H;5-17H,1-4H3;1-13H;1-9,13H;1-7H;1-4H,(H2,6,7);1H4
InChIKeyUFHNRZWXYXEHJN-UHFFFAOYSA-N
XLogP32.57
TPSA169.42 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.66
LogP ≤ 532.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 with MolForge

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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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 165075354) is 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccc(Br)cc1)C(Br)c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)nc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 2-bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 UFHNRZWXYXEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-37(27-23-35)46-48(39-16-6-2-7-17-39)53-30-12-10-20-44(53)51-46)50-43(33-41)36-24-28-38(29-25-36)47-49(40-18-8-3-9-19-40)54-31-13-11-21-45(54)52-47;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;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33H;5-17H,1-4H3;1-13H;1-9,13H;1-7H;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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 2125.66 g/mol, XLogP of 32.57, 16 rotatable bonds, 1 hydrogen bond donors, and 15 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;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]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 165075354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).