acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline

C311H422N18O9S3 — CID 158930117

IUPACacridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline
SMILESC1=COc2ccccc2C1.C1=NCc2ccccc21.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.CC(C)(C)c1ccc2c(c1)OCO2.CN1CCCc2ccccc21.Cn1ccc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.2C12H8N2.C12H8O.C12H8S.C11H14O2.C10H13N.C10H8.C9H9N.2C9H7N.C9H8O.C8H8N2.2C8H6N2.C8H7N.C8H8O2.2C8H6O.C8H6S.C7H5NO.C7H5NS.21C5H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;3*1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;21*1-5(2,3)4/h1-9H;2*1-8H;2*1-8H;4-6H,7H2,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-8H;2-7H,1H3;2*1-7H;1-4,6-7H,5H2;2-6H,1H3;2*1-6H;1-5H,6H2;1-4H,5-6H2;3*1-6H;2*1-5H;21*1-4H3
InChIKeyJIYGZZBAMHVOBT-UHFFFAOYSA-N
MW4653.11 g/mol
LogP95.90
Rot. Bonds

About acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline

acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline (PubChem CID 158930117) has the molecular formula C311H422N18O9S3 and a molecular weight of 4653.11 g/mol. Its IUPAC name is acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline.

Molecular Properties

Compound Nameacridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline
PubChem CID158930117
Molecular FormulaC311H422N18O9S3
Molecular Weight4653.11 g/mol
Exact Mass4649.23
IUPAC Nameacridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline
SMILESC1=COc2ccccc2C1.C1=NCc2ccccc21.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.CC(C)(C)c1ccc2c(c1)OCO2.CN1CCCc2ccccc21.Cn1ccc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C13H9N.2C12H8N2.C12H8O.C12H8S.C11H14O2.C10H13N.C10H8.C9H9N.2C9H7N.C9H8O.C8H8N2.2C8H6N2.C8H7N.C8H8O2.2C8H6O.C8H6S.C7H5NO.C7H5NS.21C5H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;3*1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;21*1-5(2,3)4/h1-9H;2*1-8H;2*1-8H;4-6H,7H2,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-8H;2-7H,1H3;2*1-7H;1-4,6-7H,5H2;2-6H,1H3;2*1-6H;1-5H,6H2;1-4H,5-6H2;3*1-6H;2*1-5H;21*1-4H3
InChIKeyJIYGZZBAMHVOBT-UHFFFAOYSA-N
XLogP95.90
TPSA304.63 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004653.11
LogP ≤ 595.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline with MolForge

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Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157243093
CID 157248329
CID 157248329
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,6-dimethyl-2H-indazole;7-tert-butyl-5,6-dimethyl-1H-indazole;7-tert-butyl-6-fluoro-3-methyl-2H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;1-tert-butylisoquinolin-3-amine;1-tert-butyl-2H-isoquinolin-3-one;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 157437972
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
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157977904
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
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810
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
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 158641726

Frequently Asked Questions

What is the IUPAC name of acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline?
The IUPAC name of acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline (CID 158930117) is acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline.
What is the SMILES notation for acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline?
The canonical SMILES for acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline is C1=COc2ccccc2C1.C1=NCc2ccccc21.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.CC(C)(C)c1ccc2c(c1)OCO2.CN1CCCc2ccccc21.Cn1ccc2ccccc21.Cn1cnc2ccccc21.c1ccc2c(c1)OCCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline?
The InChIKey is JIYGZZBAMHVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.2C12H8N2.C12H8O.C12H8S.C11H14O2.C10H13N.C10H8.C9H9N.2C9H7N.C9H8O.C8H8N2.2C8H6N2.C8H7N.C8H8O2.2C8H6O.C8H6S.C7H5NO.C7H5NS.21C5H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11-8-4-6-9-5-2-3-7-10(9)11;1-2-6-10-8-4-3-7-9(10)5-1;1-10-7-6-8-4-2-3-5-9(8)10;3*1-2-6-9-8(4-1)5-3-7-10-9;1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;21*1-5(2,3)4/h1-9H;2*1-8H;2*1-8H;4-6H,7H2,1-3H3;2-3,5,7H,4,6,8H2,1H3;1-8H;2-7H,1H3;2*1-7H;1-4,6-7H,5H2;2-6H,1H3;2*1-6H;1-5H,6H2;1-4H,5-6H2;3*1-6H;2*1-5H;21*1-4H3.
What are the key properties of acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline?
acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline has a molecular weight of 4653.11 g/mol, XLogP of 95.90, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;bis(1-benzofuran);1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;5-tert-butyl-1,3-benzodioxole;4H-chromene;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;henicosakis(2,2-dimethylpropane);1H-isoindole;1-methylbenzimidazole;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;naphthalene;1,10-phenanthroline;phenazine;phthalazine;quinoline;quinoxaline is sourced from PubChem (CID 158930117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).