7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate

C176H146BrN11O3 — CID 158976320

IUPAC7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate
SMILESCC(=O)c1c(-c2ccccc2)cc2ccccn12.CCc1ccn2cc(-c3ccc4ccccc4c3)cc2c1.CCc1ccn2cc(-c3ccccc3)cc2c1.Cc1c(-c2ccc3ccccc3c2)cn2ccccc12.Cc1c(-c2ccccc2)cn2ccccc12.Cc1cccc[n+]1CC(=O)c1ccccc1.Cc1ccccn1.O.[Br-].c1cc2ccc3ccc(-c4cc5ccccn5c4)c4ccc(c1)c2c34.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc2cc(-c3cc4ccccn4c3)ccc2c1
InChIInChI=1S/C24H15N.C20H17N.C19H15N.C18H13N.C16H13NO.C16H15N.C15H13N.C14H14NO.2C14H11N.C6H7N.BrH.H2O/c1-2-13-25-15-19(14-20(25)6-1)21-11-9-18-8-7-16-4-3-5-17-10-12-22(21)24(18)23(16)17;1-2-15-9-10-21-14-19(13-20(21)11-15)18-8-7-16-5-3-4-6-17(16)12-18;1-14-18(13-20-11-5-4-8-19(14)20)17-10-9-15-6-2-3-7-16(15)12-17;1-2-6-15-11-16(9-8-14(15)5-1)17-12-18-7-3-4-10-19(18)13-17;1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16;1-2-13-8-9-17-12-15(11-16(17)10-13)14-6-4-3-5-7-14;1-12-14(13-7-3-2-4-8-13)11-16-10-6-5-9-15(12)16;1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13;2*1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13;1-6-4-2-3-5-7-6;;/h1-15H;3-14H,2H2,1H3;2-13H,1H3;1-13H;2-11H,1H3;3-12H,2H2,1H3;2-11H,1H3;2-10H,11H2,1H3;2*1-11H;2-5H,1H3;1H;1H2/q;;;;;;;+1;;;;;/p-1
InChIKeyXOVUNEUNEYFPQQ-UHFFFAOYSA-M
MW2543.08 g/mol
LogP40.49
Rot. Bonds15

About 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate

7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate (PubChem CID 158976320) has the molecular formula C176H146BrN11O3 and a molecular weight of 2543.08 g/mol. Its IUPAC name is 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate.

Molecular Properties

Compound Name7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate
PubChem CID158976320
Molecular FormulaC176H146BrN11O3
Molecular Weight2543.08 g/mol
Exact Mass2540.08
IUPAC Name7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate
SMILESCC(=O)c1c(-c2ccccc2)cc2ccccn12.CCc1ccn2cc(-c3ccc4ccccc4c3)cc2c1.CCc1ccn2cc(-c3ccccc3)cc2c1.Cc1c(-c2ccc3ccccc3c2)cn2ccccc12.Cc1c(-c2ccccc2)cn2ccccc12.Cc1cccc[n+]1CC(=O)c1ccccc1.Cc1ccccn1.O.[Br-].c1cc2ccc3ccc(-c4cc5ccccn5c4)c4ccc(c1)c2c34.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc2cc(-c3cc4ccccn4c3)ccc2c1
InChIInChI=1S/C24H15N.C20H17N.C19H15N.C18H13N.C16H13NO.C16H15N.C15H13N.C14H14NO.2C14H11N.C6H7N.BrH.H2O/c1-2-13-25-15-19(14-20(25)6-1)21-11-9-18-8-7-16-4-3-5-17-10-12-22(21)24(18)23(16)17;1-2-15-9-10-21-14-19(13-20(21)11-15)18-8-7-16-5-3-4-6-17(16)12-18;1-14-18(13-20-11-5-4-8-19(14)20)17-10-9-15-6-2-3-7-16(15)12-17;1-2-6-15-11-16(9-8-14(15)5-1)17-12-18-7-3-4-10-19(18)13-17;1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16;1-2-13-8-9-17-12-15(11-16(17)10-13)14-6-4-3-5-7-14;1-12-14(13-7-3-2-4-8-13)11-16-10-6-5-9-15(12)16;1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13;2*1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13;1-6-4-2-3-5-7-6;;/h1-15H;3-14H,2H2,1H3;2-13H,1H3;1-13H;2-11H,1H3;3-12H,2H2,1H3;2-11H,1H3;2-10H,11H2,1H3;2*1-11H;2-5H,1H3;1H;1H2/q;;;;;;;+1;;;;;/p-1
InChIKeyXOVUNEUNEYFPQQ-UHFFFAOYSA-M
XLogP40.49
TPSA122.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002543.08
LogP ≤ 540.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);2-[2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;bis(3-methyl-2-(2-pyridin-3-ylbenzene-6-id-1-yl)pyridine);2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));bis(9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine);2-[2-[2,4,6-tris(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158391943
2-(7-ethyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;1-[2-(5-fluoro-7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;1-[2-(7-methyl-1H-indol-3-yl)quinolin-5-yl]propan-1-one;2-(7-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;7-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline
CID 159053079
[4-[6-(2,4-Difluorobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(4-methylphenyl)methanone;[4-[6-(4-hexylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-phenylmethanone;[4-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]-(2,4,6-trimethylphenyl)methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;[4-(6-phenyl-3-pyridinyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone;platinum
CID 160368421
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(3-methylphenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)
CID 160861839
Bis(2-[3,4-bis(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine);bis(2-[4-(2,6-dimethylphenyl)-3-methylbenzene-6-id-1-yl]pyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);bis(4-naphthalen-1-yl-1-phenylisoquinoline);bis(9-(5-phenyl-2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;pentakis(platinum(2+));tetrakis(2-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
CID 161482512
Bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);bis(2,7-dimethyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);2-phenyl-3-(2,4,6-trimethylphenyl)pyridine;platinum;tetrakis(platinum(2+));bis(9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole)
CID 161973699
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;(2,4-difluoro-3-methylphenyl)-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]methanone;[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-(2,4-difluorophenyl)methanone;1-[2,6-difluoro-3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]-2,2,2-trifluoroethanone;tetrakis(iridium);tetrakis(2-phenylpyridine)
CID 162217676
CID 139042875
CID 139042875
Phenyl-(8-phenylpyrido[1,2-b]isoindol-6-yl)methanone
CID 139044506
[4-[9,9-Dioctyl-7-[4-(pyrrol-1-ide-2-carbonyl)phenyl]fluoren-2-yl]phenyl]-pyrrol-1-id-2-ylmethanone;bis(iridium);bis(1-phenylisoquinoline)
CID 57894301
[4-[9,9-Dioctyl-7-[4-(pyrrol-1-ide-2-carbonyl)phenyl]fluoren-2-yl]phenyl]-pyrrol-1-id-2-ylmethanone;iridium;iridium(3+);2-methanidyl-1-(2-methanidylphenyl)isoquinolin-2-ium;1-phenylisoquinoline
CID 59253907
(2-Butylindolizin-3-yl)-[2-(2-butylindolizin-3-yl)-4-[3-(dipropylamino)propyl]phenyl]methanone
CID 68521116

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate?
The IUPAC name of 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate (CID 158976320) is 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate.
What is the SMILES notation for 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate?
The canonical SMILES for 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate is CC(=O)c1c(-c2ccccc2)cc2ccccn12.CCc1ccn2cc(-c3ccc4ccccc4c3)cc2c1.CCc1ccn2cc(-c3ccccc3)cc2c1.Cc1c(-c2ccc3ccccc3c2)cn2ccccc12.Cc1c(-c2ccccc2)cn2ccccc12.Cc1cccc[n+]1CC(=O)c1ccccc1.Cc1ccccn1.O.[Br-].c1cc2ccc3ccc(-c4cc5ccccn5c4)c4ccc(c1)c2c34.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc(-c2cc3ccccn3c2)cc1.c1ccc2cc(-c3cc4ccccn4c3)ccc2c1.
What is the InChIKey of 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate?
The InChIKey is XOVUNEUNEYFPQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H15N.C20H17N.C19H15N.C18H13N.C16H13NO.C16H15N.C15H13N.C14H14NO.2C14H11N.C6H7N.BrH.H2O/c1-2-13-25-15-19(14-20(25)6-1)21-11-9-18-8-7-16-4-3-5-17-10-12-22(21)24(18)23(16)17;1-2-15-9-10-21-14-19(13-20(21)11-15)18-8-7-16-5-3-4-6-17(16)12-18;1-14-18(13-20-11-5-4-8-19(14)20)17-10-9-15-6-2-3-7-16(15)12-17;1-2-6-15-11-16(9-8-14(15)5-1)17-12-18-7-3-4-10-19(18)13-17;1-12(18)16-15(13-7-3-2-4-8-13)11-14-9-5-6-10-17(14)16;1-2-13-8-9-17-12-15(11-16(17)10-13)14-6-4-3-5-7-14;1-12-14(13-7-3-2-4-8-13)11-16-10-6-5-9-15(12)16;1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13;2*1-2-6-12(7-3-1)13-10-14-8-4-5-9-15(14)11-13;1-6-4-2-3-5-7-6;;/h1-15H;3-14H,2H2,1H3;2-13H,1H3;1-13H;2-11H,1H3;3-12H,2H2,1H3;2-11H,1H3;2-10H,11H2,1H3;2*1-11H;2-5H,1H3;1H;1H2/q;;;;;;;+1;;;;;/p-1.
What are the key properties of 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate?
7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate has a molecular weight of 2543.08 g/mol, XLogP of 40.49, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-naphthalen-2-ylindolizine;7-ethyl-2-phenylindolizine;1-methyl-2-naphthalen-2-ylindolizine;1-methyl-2-phenylindolizine;2-methylpyridine;2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone;2-naphthalen-2-ylindolizine;bis(2-phenylindolizine);1-(2-phenylindolizin-3-yl)ethanone;2-pyren-1-ylindolizine;bromide;hydrate is sourced from PubChem (CID 158976320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).