anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene

C343H516Cl3F4N9O4 — CID 157260284

IUPACanisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(OC)cc1.COc1ccccc1.COc1ccncc1.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1.Cc1ccncc1.Clc1ccc(Cl)cc1.Clc1ccccc1.Fc1ccc(F)cc1.Fc1ccccc1.Fc1ccncc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccncc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C20H14.C18H14.C16H14.2C12H12.2C12H10.C11H9N.C10H8N2.2C10H8.2C9H7N.C8H10O2.C8H10.C7H8O.C7H8.C6H4Cl2.C6H5Cl.C6H4F2.C6H5F.C6H7NO.C6H7N.C6H6.C5H4FN.C5H5N.50C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;50*1-2/h1-14H;1-14H;3-10H,1-2H3;2*3-8H,1-2H3;2*1-10H;1-9H;1-8H;2*1-8H;2*1-7H;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;2-6H,1H3;1-4H;1-5H;1-4H;1-5H;2-5H,1H3;2-5H,1H3;1-6H;1-4H;1-5H;50*1-2H3
InChIKeyAXJIUEQZIPHUAT-UHFFFAOYSA-N
MW5012.31 g/mol
LogP118.55
Rot. Bonds11

About anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene

anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene (PubChem CID 157260284) has the molecular formula C343H516Cl3F4N9O4 and a molecular weight of 5012.31 g/mol. Its IUPAC name is anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene.

Molecular Properties

Compound Nameanisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene
PubChem CID157260284
Molecular FormulaC343H516Cl3F4N9O4
Molecular Weight5012.31 g/mol
Exact Mass5006.95
IUPAC Nameanisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(OC)cc1.COc1ccccc1.COc1ccncc1.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1.Cc1ccncc1.Clc1ccc(Cl)cc1.Clc1ccccc1.Fc1ccc(F)cc1.Fc1ccccc1.Fc1ccncc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccncc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1
InChIInChI=1S/C20H14.C18H14.C16H14.2C12H12.2C12H10.C11H9N.C10H8N2.2C10H8.2C9H7N.C8H10O2.C8H10.C7H8O.C7H8.C6H4Cl2.C6H5Cl.C6H4F2.C6H5F.C6H7NO.C6H7N.C6H6.C5H4FN.C5H5N.50C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;50*1-2/h1-14H;1-14H;3-10H,1-2H3;2*3-8H,1-2H3;2*1-10H;1-9H;1-8H;2*1-8H;2*1-7H;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;2-6H,1H3;1-4H;1-5H;1-4H;1-5H;2-5H,1H3;2-5H,1H3;1-6H;1-4H;1-5H;50*1-2H3
InChIKeyAXJIUEQZIPHUAT-UHFFFAOYSA-N
XLogP118.55
TPSA152.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms363
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005012.31
LogP ≤ 5118.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene with MolForge

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Related Compounds

Tetrakis(dichloromethane);bis(6-(trifluoromethoxy)-8-[2,4,5-tris[6-(trifluoromethoxy)quinolin-8-yl]phenyl]quinoline)
CID 139103622
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158
CID 158718040
CID 158718040
2-Chloro-3-(5-fluoro-2-methylphenyl)pyridine;4-chloro-3-(5-fluoro-2-methylphenyl)pyridine;2-ethyl-6-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-5-methoxypyridine;5-(5-fluoro-2-methylphenyl)-2-methoxypyridine;3-(5-fluoro-2-methylphenyl)-2-methylpyridine;3-(5-fluoro-2-methylphenyl)pyridine;4-(5-fluoro-2-methylphenyl)pyridine;3-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyridine;2-methoxy-3-(2-methylphenyl)pyridine;4-methoxy-3-(2-methylphenyl)pyridine;3-(2-methylphenyl)pyridine
CID 160417122
CID 161031809
CID 161031809
4-Chloro-7-(methoxymethyl)-1-propan-2-ylisoquinoline;4-chloro-1-propan-2-ylisoquinoline;4-methoxy-7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-4-methyl-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-ylisoquinoline;7-(methoxymethyl)-1-propan-2-yl-4-(trifluoromethyl)isoquinoline
CID 161041482
8-chloro-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4,8-dimethyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;6-methyl-9-oxa-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,11,13,15,17-octaene;4-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;trimethyl(6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane;trimethyl-(4-trimethylsilyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium-8-yl)silane
CID 91152781
2-[4-[2-[3-[2-[4-[4-[4-[5-[2-[3,5-Bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]phenyl]ethyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-methoxyphenyl]-6-[2-[4-[2-[3-[2-[2-methoxy-4-(4-phenylquinolin-2-yl)phenyl]phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]-5-methyl-4-pyridinyl]quinoline
CID 139429372
2-[2,6-Bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline
CID 157126311
2-Chloro-5-methylpyridine;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-3-methylpyridine;2-fluoro-5-methylpyridine;1-hydroxy-2-methylpyridin-1-ium;1-hydroxy-3-methylpyridin-1-ium;1-isocyano-2-methylbenzene;4-methoxy-3-methylpyridine;3-methylbenzonitrile;3-methylquinoline
CID 157570674
1-Chloro-4-propan-2-ylisoquinoline;3-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylisoquinoline;8-chloro-5-propan-2-ylquinoline;2-ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;4-methoxy-5-propan-2-ylquinoline;2-methyl-5-propan-2-ylquinoline;3-methyl-5-propan-2-ylquinoline;5-propan-2-ylisoquinoline-3-carbonitrile;5-propan-2-ylisoquinoline-8-carbonitrile;5-propan-2-ylnaphthalene-1-carbonitrile;5-propan-2-ylquinoline-8-carbonitrile
CID 157631954
2-Ethyl-5-propan-2-ylquinoline;2-(1-fluoroethyl)-5-propan-2-ylquinoline;8-fluoro-5-propan-2-ylisoquinoline;8-fluoro-5-propan-2-ylquinoline;1-methoxy-5-propan-2-ylisoquinoline;4-methoxy-5-propan-2-ylquinoline;4-propan-2-ylisoquinoline-1-carbonitrile;3-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157659628

Frequently Asked Questions

What is the IUPAC name of anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene?
The IUPAC name of anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene (CID 157260284) is anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene.
What is the SMILES notation for anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene?
The canonical SMILES for anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(OC)cc1.COc1ccccc1.COc1ccncc1.Cc1c2ccccc2c(C)c2ccccc12.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1ccccc1.Cc1ccncc1.Clc1ccc(Cl)cc1.Clc1ccccc1.Fc1ccc(F)cc1.Fc1ccccc1.Fc1ccncc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccncc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.
What is the InChIKey of anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene?
The InChIKey is AXJIUEQZIPHUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C18H14.C16H14.2C12H12.2C12H10.C11H9N.C10H8N2.2C10H8.2C9H7N.C8H10O2.C8H10.C7H8O.C7H8.C6H4Cl2.C6H5Cl.C6H4F2.C6H5F.C6H7NO.C6H7N.C6H6.C5H4FN.C5H5N.50C2H6/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-7-8-10(2)12-6-4-3-5-11(9)12;2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-9-7-3-5-8(10-2)6-4-7;1-7-3-5-8(2)6-4-7;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5;7-6-4-2-1-3-5-6;1-8-6-2-4-7-5-3-6;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;50*1-2/h1-14H;1-14H;3-10H,1-2H3;2*3-8H,1-2H3;2*1-10H;1-9H;1-8H;2*1-8H;2*1-7H;3-6H,1-2H3;3-6H,1-2H3;2-6H,1H3;2-6H,1H3;1-4H;1-5H;1-4H;1-5H;2-5H,1H3;2-5H,1H3;1-6H;1-4H;1-5H;50*1-2H3.
What are the key properties of anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene?
anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene has a molecular weight of 5012.31 g/mol, XLogP of 118.55, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;benzene;bis(1,1'-biphenyl);chlorobenzene;1,4-dichlorobenzene;1,4-difluorobenzene;1,4-dimethoxybenzene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1,4-diphenylbenzene;ethane;fluorobenzene;4-fluoropyridine;isoquinoline;4-methoxypyridine;4-methylpyridine;naphthalene;1-naphthalen-1-ylnaphthalene;4-phenylpyridine;pyridine;2-pyridin-2-ylpyridine;quinoline;toluene;1,4-xylene is sourced from PubChem (CID 157260284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).