1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline

C271H405N21O6S2 — CID 157185452

IUPAC1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline
SMILESC1=COC=CC1.C1=COc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CN1C2C=CC=CC2=CC1C(C)(C)C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C13H19N.C10H8.C9H9N.3C9H7N.C9H8O.C9H8.2C8H8N2.C8H6N2.C8H8O2.C8H6O.C8H6S.C7H5NO.C7H5NS.2C5H5N.C5H6O.21C5H12.3C4H4N2/c1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;21*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h5-9,11-12H,1-4H3;1-8H;2-7H,1H3;3*1-7H;1-4,6-7H,5H2;1-6H,7H2;2*2-6H,1H3;1-6H;1-4H,5-6H2;2*1-6H;2*1-5H;2*1-5H;2-5H,1H2;21*1-4H3;3*1-4H
InChIKeyAPBJQRSWQQRUKY-UHFFFAOYSA-N
MW4117.50 g/mol
LogP82.70
Rot. Bonds

About 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline (PubChem CID 157185452) has the molecular formula C271H405N21O6S2 and a molecular weight of 4117.50 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline.

Molecular Properties

Compound Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline
PubChem CID157185452
Molecular FormulaC271H405N21O6S2
Molecular Weight4117.50 g/mol
Exact Mass4114.15
IUPAC Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline
SMILESC1=COC=CC1.C1=COc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CN1C2C=CC=CC2=CC1C(C)(C)C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C13H19N.C10H8.C9H9N.3C9H7N.C9H8O.C9H8.2C8H8N2.C8H6N2.C8H8O2.C8H6O.C8H6S.C7H5NO.C7H5NS.2C5H5N.C5H6O.21C5H12.3C4H4N2/c1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;21*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h5-9,11-12H,1-4H3;1-8H;2-7H,1H3;3*1-7H;1-4,6-7H,5H2;1-6H,7H2;2*2-6H,1H3;1-6H;1-4H,5-6H2;2*1-6H;2*1-5H;2*1-5H;2-5H,1H2;21*1-4H3;3*1-4H
InChIKeyAPBJQRSWQQRUKY-UHFFFAOYSA-N
XLogP82.70
TPSA300.36 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004117.50
LogP ≤ 582.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline with MolForge

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Related Compounds

benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;1,4-dimethoxybenzene;ethane;furan;bis(1H-indole);1-methylimidazole;1-methylindole;4-methylmorpholine;1-methylpiperidine;5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157051462
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;bis(1,3-oxazole);[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 158627228
CID 158633368
CID 158633368
benzene;1,3-benzodioxole;1,3-benzothiazole;bis(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;5,6-dihydro-1H-indole;ethane;9H-fluorene;furan;1H-indole;methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 158707597
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline?
The IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline (CID 157185452) is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline.
What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline?
The canonical SMILES for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline is C1=COC=CC1.C1=COc2ccccc2C1.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CN1C2C=CC=CC2=CC1C(C)(C)C.Cn1ccc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.
What is the InChIKey of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline?
The InChIKey is APBJQRSWQQRUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C10H8.C9H9N.3C9H7N.C9H8O.C9H8.2C8H8N2.C8H6N2.C8H8O2.C8H6O.C8H6S.C7H5NO.C7H5NS.2C5H5N.C5H6O.21C5H12.3C4H4N2/c1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-10-6-9-7-4-2-3-5-8(7)10;2*1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;3*1-2-4-6-5-3-1;21*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1/h5-9,11-12H,1-4H3;1-8H;2-7H,1H3;3*1-7H;1-4,6-7H,5H2;1-6H,7H2;2*2-6H,1H3;1-6H;1-4H,5-6H2;2*1-6H;2*1-5H;2*1-5H;2-5H,1H2;21*1-4H3;3*1-4H.
What are the key properties of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline?
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline has a molecular weight of 4117.50 g/mol, XLogP of 82.70, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-tert-butyl-1-methyl-2,7a-dihydroindole;4H-chromene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-indene;isoquinoline;bis(1-methylbenzimidazole);1-methylindole;naphthalene;4H-pyran;pyrazine;pyridazine;bis(pyridine);pyrimidine;quinoline;quinoxaline is sourced from PubChem (CID 157185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).