6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C126H95BBr5N9O3 — CID 159234721

IUPAC6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cc(Br)c2nc(-c3ccc4ccccc4c3)cn2c1.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)OC1(C)C.Nc1ncc(Br)cc1Br.O=C(CBr)c1ccc2ccccc2c1.[H][2H].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5nc(-c6ccc7ccccc7c6)cn5c4)cc3)c2)cc1
InChIInChI=1S/C63H42N4.C29H28BNO2.C17H10Br2N2.C12H9BrO.C5H4Br2N2.H2/c1-5-15-43(16-6-1)54-37-58(48-20-9-3-10-21-48)64-60(39-54)50-30-25-46(26-31-50)56-36-57(63-66-62(42-67(63)41-56)53-34-27-45-19-13-14-24-52(45)35-53)47-28-32-51(33-29-47)61-40-55(44-17-7-2-8-18-44)38-59(65-61)49-22-11-4-12-23-49;1-28(2)29(3,4)33-30(32-28)25-17-15-23(16-18-25)27-20-24(21-11-7-5-8-12-21)19-26(31-27)22-13-9-6-10-14-22;18-14-8-15(19)17-20-16(10-21(17)9-14)13-6-5-11-3-1-2-4-12(11)7-13;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;6-3-1-4(7)5(8)9-2-3;/h1-42H;5-20H,1-4H3;1-10H;1-7H,8H2;1-2H,(H2,8,9);1H/i;;;;;1+1
InChIKeyKTIFJXUDXCXSQP-PUQAOBSFSA-N
MW2194.54 g/mol
LogP34.19
Rot. Bonds16

About 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 159234721) has the molecular formula C126H95BBr5N9O3 and a molecular weight of 2194.54 g/mol. Its IUPAC name is 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID159234721
Molecular FormulaC126H95BBr5N9O3
Molecular Weight2194.54 g/mol
Exact Mass2188.36
IUPAC Name6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cc(Br)c2nc(-c3ccc4ccccc4c3)cn2c1.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)OC1(C)C.Nc1ncc(Br)cc1Br.O=C(CBr)c1ccc2ccccc2c1.[H][2H].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5nc(-c6ccc7ccccc7c6)cn5c4)cc3)c2)cc1
InChIInChI=1S/C63H42N4.C29H28BNO2.C17H10Br2N2.C12H9BrO.C5H4Br2N2.H2/c1-5-15-43(16-6-1)54-37-58(48-20-9-3-10-21-48)64-60(39-54)50-30-25-46(26-31-50)56-36-57(63-66-62(42-67(63)41-56)53-34-27-45-19-13-14-24-52(45)35-53)47-28-32-51(33-29-47)61-40-55(44-17-7-2-8-18-44)38-59(65-61)49-22-11-4-12-23-49;1-28(2)29(3,4)33-30(32-28)25-17-15-23(16-18-25)27-20-24(21-11-7-5-8-12-21)19-26(31-27)22-13-9-6-10-14-22;18-14-8-15(19)17-20-16(10-21(17)9-14)13-6-5-11-3-1-2-4-12(11)7-13;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;6-3-1-4(7)5(8)9-2-3;/h1-42H;5-20H,1-4H3;1-10H;1-7H,8H2;1-2H,(H2,8,9);1H/i;;;;;1+1
InChIKeyKTIFJXUDXCXSQP-PUQAOBSFSA-N
XLogP34.19
TPSA147.71 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.54
LogP ≤ 534.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine with MolForge

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Related Compounds

8-bromo-3-(2,3-difluorophenyl)imidazo[1,5-a]pyridine;8-bromoimidazo[1,5-a]pyridine;N-(3,4-difluorophenyl)-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 158477336
8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;2-iodopyridine
CID 158879688
8-bromoimidazo[1,5-a]pyridine;N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 159581722
8-bromoimidazo[1,5-a]pyridine;bis(N-(4-fluorophenyl)-5-imidazo[1,5-a]pyridin-8-yl-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(3-pyridin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide;2-iodopyridine
CID 160477313
1-N,3-N-bis(2-anilino-3-pyridinyl)-5-bromobenzene-1,3-dicarboxamide;5-bromobenzene-1,3-dicarbonyl chloride;2-[3-bromo-5-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;3-phenyl-2-[3-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)-5-pyren-1-ylphenyl]imidazo[4,5-b]pyridine;4,4,5,5-tetramethyl-2-pyren-1-yl-1,3,2-dioxaborolane
CID 157052309
2-(4-Bromophenyl)imidazo[1,2-a]pyridine;21-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157059758
2-Bromo-9,10-dinaphthalen-2-ylanthracene;8-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;methane;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 157109864
CID 157145266
CID 157145266
2-(4-Bromophenyl)imidazo[1,2-a]pyridine;22-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;methane;22-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 157390203
bis(8-bromo-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridine);8-bromo-3-iodoimidazo[1,2-a]pyridine;(2,3-difluorophenyl)boronic acid;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-fluorophenyl)-2-methylbenzamide;N-(4-fluorophenyl)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 157402621
Lithium;2-bromo-1-(4-bromophenyl)ethanone;bis(9-bromo-10-naphthalen-2-ylanthracene);2-(4-bromophenyl)imidazo[1,2-a]pyridine;butane;9,10-dibromoanthracene;hydron;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]imidazo[1,2-a]pyridine;naphthalen-2-ylboronic acid;pyridin-2-amine;tripropan-2-yl borate
CID 157603506
2-(4-Bromophenyl)imidazo[1,2-a]pyridine;8-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;methane;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 157711892

Frequently Asked Questions

What is the IUPAC name of 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 159234721) is 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is Brc1cc(Br)c2nc(-c3ccc4ccccc4c3)cn2c1.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)OC1(C)C.Nc1ncc(Br)cc1Br.O=C(CBr)c1ccc2ccccc2c1.[H][2H].c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5nc(-c6ccc7ccccc7c6)cn5c4)cc3)c2)cc1.
What is the InChIKey of 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is KTIFJXUDXCXSQP-PUQAOBSFSA-N. The full InChI is InChI=1S/C63H42N4.C29H28BNO2.C17H10Br2N2.C12H9BrO.C5H4Br2N2.H2/c1-5-15-43(16-6-1)54-37-58(48-20-9-3-10-21-48)64-60(39-54)50-30-25-46(26-31-50)56-36-57(63-66-62(42-67(63)41-56)53-34-27-45-19-13-14-24-52(45)35-53)47-28-32-51(33-29-47)61-40-55(44-17-7-2-8-18-44)38-59(65-61)49-22-11-4-12-23-49;1-28(2)29(3,4)33-30(32-28)25-17-15-23(16-18-25)27-20-24(21-11-7-5-8-12-21)19-26(31-27)22-13-9-6-10-14-22;18-14-8-15(19)17-20-16(10-21(17)9-14)13-6-5-11-3-1-2-4-12(11)7-13;13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11;6-3-1-4(7)5(8)9-2-3;/h1-42H;5-20H,1-4H3;1-10H;1-7H,8H2;1-2H,(H2,8,9);1H/i;;;;;1+1.
What are the key properties of 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 2194.54 g/mol, XLogP of 34.19, 16 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-bromo-1-naphthalen-2-ylethanone;deuterium monohydride;6,8-dibromo-2-naphthalen-2-ylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 159234721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).