2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine

C124H100BBr3Cl2N12O3 — CID 165030424

IUPAC2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
SMILESBrc1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1.C.C1=CC2NC(c3ccccc3)=C(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6c(-c7ccccc7)nc7ccccn67)cc5)n4)cc3)N2C=C1.CC1(C)OB(c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccccc1)C(Br)c1ccc(Br)cc1
InChIInChI=1S/C49H35N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-39(27-23-35)48-46(37-16-6-2-7-17-37)51-44-20-10-12-30-53(44)48)50-43(33-41)36-24-28-40(29-25-36)49-47(38-18-8-3-9-19-38)52-45-21-11-13-31-54(45)49;1-24(2)25(3,4)30-26(29-24)20-15-13-19(14-16-20)23-22(18-10-6-5-7-11-18)27-21-12-8-9-17-28(21)23;20-16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19;15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33,44,51H;5-17H,1-4H3;1-13H;1-9,13H;1-7H;1-4H,(H2,6,7);1H4
InChIKeyMOIXMQFJJJDXRU-UHFFFAOYSA-N
MW2127.67 g/mol
LogP31.73
Rot. Bonds16

About 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine

2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine (PubChem CID 165030424) has the molecular formula C124H100BBr3Cl2N12O3 and a molecular weight of 2127.67 g/mol. Its IUPAC name is 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
PubChem CID165030424
Molecular FormulaC124H100BBr3Cl2N12O3
Molecular Weight2127.67 g/mol
Exact Mass2122.51
IUPAC Name2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
SMILESBrc1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1.C.C1=CC2NC(c3ccccc3)=C(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6c(-c7ccccc7)nc7ccccn67)cc5)n4)cc3)N2C=C1.CC1(C)OB(c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccccc1)C(Br)c1ccc(Br)cc1
InChIInChI=1S/C49H35N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-39(27-23-35)48-46(37-16-6-2-7-17-37)51-44-20-10-12-30-53(44)48)50-43(33-41)36-24-28-40(29-25-36)49-47(38-18-8-3-9-19-38)52-45-21-11-13-31-54(45)49;1-24(2)25(3,4)30-26(29-24)20-15-13-19(14-16-20)23-22(18-10-6-5-7-11-18)27-21-12-8-9-17-28(21)23;20-16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19;15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33,44,51H;5-17H,1-4H3;1-13H;1-9,13H;1-7H;1-4H,(H2,6,7);1H4
InChIKeyMOIXMQFJJJDXRU-UHFFFAOYSA-N
XLogP31.73
TPSA167.39 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002127.67
LogP ≤ 531.73
H-Bond Donors ≤ 52
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine (CID 165030424) is 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine is Brc1ccc(-c2c(-c3ccccc3)nc3ccccn23)cc1.C.C1=CC2NC(c3ccccc3)=C(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6c(-c7ccccc7)nc7ccccn67)cc5)n4)cc3)N2C=C1.CC1(C)OB(c2ccc(-c3c(-c4ccccc4)nc4ccccn34)cc2)OC1(C)C.Clc1cc(-c2ccccc2)cc(Cl)n1.Nc1ccccn1.O=C(c1ccccc1)C(Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?
The InChIKey is MOIXMQFJJJDXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N5.C25H25BN2O2.C19H13BrN2.C14H10Br2O.C11H7Cl2N.C5H6N2.CH4/c1-4-14-34(15-5-1)41-32-42(35-22-26-39(27-23-35)48-46(37-16-6-2-7-17-37)51-44-20-10-12-30-53(44)48)50-43(33-41)36-24-28-40(29-25-36)49-47(38-18-8-3-9-19-38)52-45-21-11-13-31-54(45)49;1-24(2)25(3,4)30-26(29-24)20-15-13-19(14-16-20)23-22(18-10-6-5-7-11-18)27-21-12-8-9-17-28(21)23;20-16-11-9-15(10-12-16)19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19;15-12-8-6-10(7-9-12)13(16)14(17)11-4-2-1-3-5-11;12-10-6-9(7-11(13)14-10)8-4-2-1-3-5-8;6-5-3-1-2-4-7-5;/h1-33,44,51H;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-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine?
2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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 2127.67 g/mol, XLogP of 31.73, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[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 165030424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).