2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran

C171H203N15O6 — CID 157285800

IUPAC2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
SMILESCC(C)C1=Cc2c(cnc3c2CCCC3)C1.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)CCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.C15H19N.C15H17N.3C15H19N.C15H18O.C14H14N2O.C14H18N2.C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)14-7-6-13-8-11-4-3-5-12(11)9-15(13)16-14;1-10(2)11-7-12-9-16-15-6-4-3-5-13(15)14(12)8-11;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyBAFIKCVEAHKABE-UHFFFAOYSA-N
MW2564.60 g/mol
LogP44.75
Rot. Bonds12

About 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran

2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran (PubChem CID 157285800) has the molecular formula C171H203N15O6 and a molecular weight of 2564.60 g/mol. Its IUPAC name is 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran.

Molecular Properties

Compound Name2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
PubChem CID157285800
Molecular FormulaC171H203N15O6
Molecular Weight2564.60 g/mol
Exact Mass2562.60
IUPAC Name2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran
SMILESCC(C)C1=Cc2c(cnc3c2CCCC3)C1.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)CCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C15H15NO.C15H19N.C15H17N.3C15H19N.C15H18O.C14H14N2O.C14H18N2.C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)14-7-6-13-8-11-4-3-5-12(11)9-15(13)16-14;1-10(2)11-7-12-9-16-15-6-4-3-5-13(15)14(12)8-11;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyBAFIKCVEAHKABE-UHFFFAOYSA-N
XLogP44.75
TPSA273.95 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002564.60
LogP ≤ 544.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran with MolForge

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Related Compounds

CID 157060209
CID 157060209
2-(2-tert-butyl-3H-pyrrol-5-yl)-6-methylpyridine;1-[2-(6,7-dimethylquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone;bis(5-methyl-1,3-benzodioxole);2-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]-1,5-naphthyridine;4-(5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 157097126
CID 157126147
CID 157126147
2-(1,3-benzodioxol-5-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-(1-benzofuran-2-yl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 157155961
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;8-tert-butylquinoline
CID 157202481
methane;2-methylidene-4-propan-2-yl-3H-1-benzofuran;2-methylidene-7-propan-2-yl-3H-1-benzofuran;bis(2-methylidene-4-propan-2-yl-1,3-dihydroindole);2-methylidene-8-propan-2-yl-1H-naphthalene;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;9-propan-2-yl-3,5-dihydro-2H-1,4-benzodioxepine;3-propan-2-yl-1H-indole;bis(4-propan-2-yl-1H-indole);7-propan-2-yl-1H-indole;8-propan-2-yl-2H-naphthalen-1-one;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-3H-quinolin-4-one;5-propan-2-ylquinoxaline;6-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 157224544
CID 157289620
CID 157289620
2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]-1,3-benzoxazole;2,4-bis(1,2-diphenylbenzimidazol-5-yl)-6,8-di(triphenylen-2-yl)quinazoline;2,4-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline;2-[4-[2-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-6,8-di(triphenylen-2-yl)quinazolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole;2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
CID 157404452
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668
6-(1,3-Dimethylbenzimidazol-3-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;6-(1,3-dimethylimidazol-1-ium-2-yl)-5-methyl-[1]benzofuro[2,3-c]quinolin-5-ium;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline;5-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]quinoline;5-methyl-6-(2-methylpyrrol-1-yl)-[1]benzofuro[2,3-c]quinolin-5-ium
CID 157482749
2-(1,3-dihydroisoindole-2-carbonyl)-1'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione;2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1'-methylspiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione;2-[5,7-dimethyl-3-[(1'-methyl-2',4'-dioxospiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2-yl)methyl]-2-oxobenzimidazol-1-yl]-N,N-dimethylacetamide;1'-methyl-2-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[5,7-dihydro-3H-cyclopenta[f]benzimidazole-6,5'-imidazolidine]-2',4'-dione;1'-methyl-2-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[5,7-dihydrocyclopenta[f][1,3]benzoxazole-6,5'-imidazolidine]-2',4'-dione;1'-methyl-3-[(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoxaline-7,5'-imidazolidine]-2',4'-dione
CID 157603926
4-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;4-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,3-benzodioxole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-1-methylbenzimidazole;1-tert-butylnaphthalene;2-tert-butylnaphthalene;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
CID 157714027

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran?
The IUPAC name of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran (CID 157285800) is 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran.
What is the SMILES notation for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran?
The canonical SMILES for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran is CC(C)C1=Cc2c(cnc3c2CCCC3)C1.CC(C)C1CCCc2c1ccc1ocnc21.CC(C)C1CCCc2cc3cc[nH]c3cc21.CC(C)C1c2cccnc2Oc2ncccc21.CC(C)c1c2c(cc3cc[nH]c13)CCCC2.CC(C)c1cc2[nH]cnc2c2c1CCCC2.CC(C)c1ccc2c(n1)Oc1ccccc1C2.CC(C)c1ccc2c3c([nH]c2c1)CCCC3.CC(C)c1ccc2cc3c(cc2n1)CCC3.CC(C)c1ccc2oc3c(c2c1)CCCC3.CC(C)c1nc2cc3c(cc2[nH]1)CCC3.CC(C)c1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran?
The InChIKey is BAFIKCVEAHKABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C15H19N.C15H17N.3C15H19N.C15H18O.C14H14N2O.C14H18N2.C14H17NO.C13H16N2.C11H12N2O2/c1-10(2)13-8-7-12-9-11-5-3-4-6-14(11)17-15(12)16-13;1-10(2)13-5-3-4-11-8-12-6-7-16-15(12)9-14(11)13;1-10(2)14-7-6-13-8-11-4-3-5-12(11)9-15(13)16-14;1-10(2)11-7-12-9-16-15-6-4-3-5-13(15)14(12)8-11;1-10(2)11-7-8-13-12-5-3-4-6-14(12)16-15(13)9-11;1-10(2)14-13-6-4-3-5-11(13)9-12-7-8-16-15(12)14;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-9(2)12-10-5-3-7-15-13(10)17-14-11(12)6-4-8-16-14;1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12;1-9(2)10-4-3-5-12-11(10)6-7-13-14(12)15-8-16-13;1-8(2)13-14-11-6-9-4-3-5-10(9)7-12(11)15-13;1-6(2)11-12-7-3-9-10(15-5-14-9)4-8(7)13-11/h3-8,10H,9H2,1-2H3;6-10,13,16H,3-5H2,1-2H3;6-10H,3-5H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-10,16H,3-6H2,1-2H3;7-10H,3-6H2,1-2H3;3-9,12H,1-2H3;7-9H,3-6H2,1-2H3,(H,15,16);6-10H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3,(H,14,15);3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran?
2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran has a molecular weight of 2564.60 g/mol, XLogP of 44.75, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-chromeno[2,3-b]pyridine;2-propan-2-yl-7,8-dihydro-6H-cyclopenta[g]quinoline;6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;9-propan-2-yl-2-oxa-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;5-propan-2-yl-6,7,8,9-tetrahydro-3H-benzo[e]benzimidazole;6-propan-2-yl-6,7,8,9-tetrahydrobenzo[e][1,3]benzoxazole;8-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;9-propan-2-yl-5,6,7,8-tetrahydro-1H-benzo[f]indole;7-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole;2-propan-2-yl-6,7,8,9-tetrahydro-3H-cyclopenta[c]quinoline;2-propan-2-yl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazole;8-propan-2-yl-1,2,3,4-tetrahydrodibenzofuran is sourced from PubChem (CID 157285800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).