1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline

C303H482N24O4S — CID 157244518

IUPAC1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2nccnc2C1.C=C1c2ccccc2C(=O)N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CCC.O=C1CC(=O)c2ccccc21.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1
InChIInChI=1S/C12H13NO.2C11H13N.3C10H12N2.C9H7N.C9H6O2.3C9H8.7C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H5N3.16C4H10.C3H8.22C2H6/c1-8(2)13-9(3)10-6-4-5-7-11(10)12(13)14;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-9(11)7-4-2-1-3-6(7)8;3*1-2-5-9-7-3-6-8(9)4-1;3*1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;2*1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(1)7-3-4-9-6;16*1-4(2)3;1-3-2;22*1-2/h4-8H,3H2,1-2H3;2*3-9H,1-2H3;3*3-8H,1-2H3;1-7H;1-4H,5H2;3*1-6H,7H2;2*1-2,4-6H,3H2;1-4,6H,5H2;1-5H,6H2;3*1-4,6H,5H2;1-2,4-5H,3H2;2*1-5H;2-4H,1H2;16*4H,1-3H3;3H2,1-2H3;22*1-2H3
InChIKeyAVPCPAVZSAQMLW-UHFFFAOYSA-N
MW4557.42 g/mol
LogP96.47
Rot. Bonds6

About 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline

1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline (PubChem CID 157244518) has the molecular formula C303H482N24O4S and a molecular weight of 4557.42 g/mol. Its IUPAC name is 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline.

Molecular Properties

Compound Name1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline
PubChem CID157244518
Molecular FormulaC303H482N24O4S
Molecular Weight4557.42 g/mol
Exact Mass4553.80
IUPAC Name1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline
SMILESC1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2nccnc2C1.C=C1c2ccccc2C(=O)N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CCC.O=C1CC(=O)c2ccccc21.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1
InChIInChI=1S/C12H13NO.2C11H13N.3C10H12N2.C9H7N.C9H6O2.3C9H8.7C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H5N3.16C4H10.C3H8.22C2H6/c1-8(2)13-9(3)10-6-4-5-7-11(10)12(13)14;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-9(11)7-4-2-1-3-6(7)8;3*1-2-5-9-7-3-6-8(9)4-1;3*1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;2*1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(1)7-3-4-9-6;16*1-4(2)3;1-3-2;22*1-2/h4-8H,3H2,1-2H3;2*3-9H,1-2H3;3*3-8H,1-2H3;1-7H;1-4H,5H2;3*1-6H,7H2;2*1-2,4-6H,3H2;1-4,6H,5H2;1-5H,6H2;3*1-4,6H,5H2;1-2,4-5H,3H2;2*1-5H;2-4H,1H2;16*4H,1-3H3;3H2,1-2H3;22*1-2H3
InChIKeyAVPCPAVZSAQMLW-UHFFFAOYSA-N
XLogP96.47
TPSA321.08 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds6
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004557.42
LogP ≤ 596.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline with MolForge

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Related Compounds

5-cyclohexyl-1-methyl-3-phenyl-2H-benzimidazol-2-ide;4,5-dimethyl-2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine;1-(4,5-dimethyl-2-pyridinyl)-9-phenyl-2H-carbazol-2-ide;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]isoquinoline;3-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tris(iridium);iridium(3+);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole;3-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-1,2-benzoxazole
CID 160779406
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;bis(imidazo[1,2-a]pyrazine);bis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157236367
3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridine;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;bis(cyclopenta-1,3-diene);tetrakis(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;bis(pyridine);pyrimidine;quinazoline;3H-quinazolin-4-one;quinoline;quinoxaline
CID 157254504
3a,4,5,6,7,7a-hexahydro-1-benzothiophene;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;imidazo[1,2-a]pyrazine;tris(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;pyridazine;bis(pyridine);2H-pyrrole;quinazoline;quinoline;3H-quinolin-4-one;quinoxaline
CID 157319589
2-(3H-dibenzoselenophen-3-id-4-yl)-4-propan-2-ylpyridine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;tetrakis(iridium);bis(3-phenyl-[1,2]oxazolo[4,5-c]pyridine);2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzothiazole
CID 158427205
tetrakis(iridium);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-4,6-diphenylpyrimidine;tris(3-(2H-naphthalen-2-id-1-yl)-1,2-benzoxazole);2-[2-(2H-naphthalen-2-id-1-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-1,2-benzothiazole;4-propan-2-yl-2-(6-propan-2-yl-2H-naphthalen-2-id-1-yl)pyridine;2-(6-pyridin-4-yl-2H-naphthalen-2-id-1-yl)pyridine
CID 158719967
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-6-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-indolizin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-5-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(8-methylquinazolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158885124
3a,4,5,6,7,7a-hexahydro-1-benzothiophene;benzene;1,2-benzoxazole;2-benzylpyrimidine;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;imidazo[1,2-a]pyrazine;tris(imidazo[1,2-a]pyridine);imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;1H-isoindole;naphthalene;pyrazine;pyridazine;bis(pyridine);2H-pyrrole;quinoline;3H-quinolin-4-one;quinoxaline
CID 159574335
1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;bis(3H-indole);1H-isoindole;pentadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine
CID 159786940
1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;cinnoline;ethane;indene-1,3-dione;3H-indole;3-methylidene-2-propan-2-ylisoindol-1-one;decakis(2-methylpropane);propane;7H-pyrrolo[2,3-b]pyrazine;quinoline;quinoxaline
CID 159853995
2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-methyl-2H-carbazol-2-ide;2-(1,9-dipyridin-2-yl-2H-fluoren-2-id-9-yl)pyridine;tetrakis(iridium);3-(3H-isoquinolin-3-id-4-yl)-1,2-benzothiazole;3-phenyl-1,2-benzothiazole;3-phenyl-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-1,2-benzoxazole
CID 159939490
2,1,3-benzothiadiazole;1,2-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 159966842

Frequently Asked Questions

What is the IUPAC name of 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline?
The IUPAC name of 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline (CID 157244518) is 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline.
What is the SMILES notation for 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline?
The canonical SMILES for 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline is C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=NCc2ccccc21.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2cccnc2C1.C1=Nc2nccnc2C1.C=C1c2ccccc2C(=O)N1C(C)C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CCC.O=C1CC(=O)c2ccccc21.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1.
What is the InChIKey of 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline?
The InChIKey is AVPCPAVZSAQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.2C11H13N.3C10H12N2.C9H7N.C9H6O2.3C9H8.7C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H5N3.16C4H10.C3H8.22C2H6/c1-8(2)13-9(3)10-6-4-5-7-11(10)12(13)14;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-2-6-9-8(4-1)5-3-7-10-9;10-8-5-9(11)7-4-2-1-3-6(7)8;3*1-2-5-9-7-3-6-8(9)4-1;3*1-3-7-4-2-6-9-8(7)5-1;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(8-4-1)3-5-9-6;2*1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(1)7-3-4-9-6;16*1-4(2)3;1-3-2;22*1-2/h4-8H,3H2,1-2H3;2*3-9H,1-2H3;3*3-8H,1-2H3;1-7H;1-4H,5H2;3*1-6H,7H2;2*1-2,4-6H,3H2;1-4,6H,5H2;1-5H,6H2;3*1-4,6H,5H2;1-2,4-5H,3H2;2*1-5H;2-4H,1H2;16*4H,1-3H3;3H2,1-2H3;22*1-2H3.
What are the key properties of 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline?
1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline has a molecular weight of 4557.42 g/mol, XLogP of 96.47, 6 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazole;1,2-benzoxazole;bis(5H-cyclopenta[b]pyridine);7H-cyclopenta[b]pyridine;ethane;tris(1H-indene);indene-1,3-dione;tris(3H-indole);1H-isoindole;3-methylidene-2-propan-2-ylisoindol-1-one;hexadecakis(2-methylpropane);propane;1-propan-2-ylbenzimidazole;bis(1-propan-2-ylindole);1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;7H-pyrrolo[2,3-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;quinoline is sourced from PubChem (CID 157244518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).