3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

C169H224N14O6 — CID 161246774

IUPAC3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESCC(C)C1=Cc2cc3c(cc2C1)C=C(C(C)C)C3.CC(C)C1CCc2cc3c(cc2C1)NC(=O)C(C(C)C)C3.CC(C)C1Cc2cc3c(nc2N1)CC(C(C)C)O3.CC(C)N1CCc2cc3c(cc2C1)CN(C(C)C)CC3.CC(C)N1Cc2cc3c(cc2C1)CN(C(C)C)C3.CC(C)c1cc2cc3cc(C(C)C)oc3cc2o1.CC(C)c1cc2nc3cc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1cc2nc3cc(C(C)C)oc3cc2o1.CC(C)c1ccc2cc3ncc(C(C)C)cc3cc2c1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3
InChIInChI=1S/C19H27NO.C19H21N.C18H28N2.C18H26N2.C18H22.C16H24N2.C16H18O2.C15H19N3.C15H22N2O.C15H17NO2/c1-11(2)13-5-6-14-8-16-9-17(12(3)4)19(21)20-18(16)10-15(14)7-13;1-12(2)14-5-6-15-10-19-17(8-16(15)7-14)9-18(11-20-19)13(3)4;1-13(2)19-7-5-15-9-16-6-8-20(14(3)4)12-18(16)10-17(15)11-19;1-11(2)13-5-7-14-9-16-17(10-15(14)8-6-13)20-18(19-16)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-11(2)17-7-13-5-15-9-18(12(3)4)10-16(15)6-14(13)8-17;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-8(2)10-5-12-14(16-10)7-15-13(18-12)6-11(17-15)9(3)4;1-8(2)11-5-10-6-14-12(17-15(10)16-11)7-13(18-14)9(3)4;1-8(2)12-5-10-14(17-12)7-15-11(16-10)6-13(18-15)9(3)4/h8,10-13,17H,5-7,9H2,1-4H3,(H,20,21);5-13H,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);5,8-12H,6-7H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;5-10H,1-4H3;5-9,16-17H,1-4H3;6,8-9,11,13H,5,7H2,1-4H3,(H,16,17);5-9H,1-4H3
InChIKeyVASWJZSEJZINLR-UHFFFAOYSA-N
MW2547.74 g/mol
LogP43.49
Rot. Bonds20

About 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (PubChem CID 161246774) has the molecular formula C169H224N14O6 and a molecular weight of 2547.74 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.

Molecular Properties

Compound Name3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
PubChem CID161246774
Molecular FormulaC169H224N14O6
Molecular Weight2547.74 g/mol
Exact Mass2545.77
IUPAC Name3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESCC(C)C1=Cc2cc3c(cc2C1)C=C(C(C)C)C3.CC(C)C1CCc2cc3c(cc2C1)NC(=O)C(C(C)C)C3.CC(C)C1Cc2cc3c(nc2N1)CC(C(C)C)O3.CC(C)N1CCc2cc3c(cc2C1)CN(C(C)C)CC3.CC(C)N1Cc2cc3c(cc2C1)CN(C(C)C)C3.CC(C)c1cc2cc3cc(C(C)C)oc3cc2o1.CC(C)c1cc2nc3cc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1cc2nc3cc(C(C)C)oc3cc2o1.CC(C)c1ccc2cc3ncc(C(C)C)cc3cc2c1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3
InChIInChI=1S/C19H27NO.C19H21N.C18H28N2.C18H26N2.C18H22.C16H24N2.C16H18O2.C15H19N3.C15H22N2O.C15H17NO2/c1-11(2)13-5-6-14-8-16-9-17(12(3)4)19(21)20-18(16)10-15(14)7-13;1-12(2)14-5-6-15-10-19-17(8-16(15)7-14)9-18(11-20-19)13(3)4;1-13(2)19-7-5-15-9-16-6-8-20(14(3)4)12-18(16)10-17(15)11-19;1-11(2)13-5-7-14-9-16-17(10-15(14)8-6-13)20-18(19-16)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-11(2)17-7-13-5-15-9-18(12(3)4)10-16(15)6-14(13)8-17;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-8(2)10-5-12-14(16-10)7-15-13(18-12)6-11(17-15)9(3)4;1-8(2)11-5-10-6-14-12(17-15(10)16-11)7-13(18-14)9(3)4;1-8(2)12-5-10-14(17-12)7-15-11(16-10)6-13(18-15)9(3)4/h8,10-13,17H,5-7,9H2,1-4H3,(H,20,21);5-13H,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);5,8-12H,6-7H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;5-10H,1-4H3;5-9,16-17H,1-4H3;6,8-9,11,13H,5,7H2,1-4H3,(H,16,17);5-9H,1-4H3
InChIKeyVASWJZSEJZINLR-UHFFFAOYSA-N
XLogP43.49
TPSA227.70 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002547.74
LogP ≤ 543.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene with MolForge

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Related Compounds

2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
6-[17-([1]Benzofuro[2,3-b]pyridin-6-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-8-[6-[17-[8-[8-[17-([1]benzofuro[3,2-c]pyridin-8-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzofuro[3,2-c]pyridin-6-yl]-[1]benzofuro[2,3-c]pyridin-6-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzofuro[2,3-c]pyridin-8-yl]-[1]benzofuro[2,3-b]pyridine
CID 139484189
CID 157060209
CID 157060209
1-[4-(10,14-Dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]-2-phenylbenzimidazole;2-[18-(1,10-phenanthrolin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-1,10-phenanthroline;2-phenyl-1-[4-[16-[4-(2-phenylbenzimidazol-1-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]benzimidazole;2-pyridin-2-yl-6-[18-(6-pyridin-2-yl-2-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]pyridine
CID 157222639
CID 157289620
CID 157289620
2,6-Di(propan-2-yl)-1,5-dihydrocyclopenta[f]indole;2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-1,7-dihydropyrrolo[3,2-f]indole;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[2,3-f][1]benzofuran;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydrocyclopenta[f]indole;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydropyrrolo[3,2-f]indole;2,6-di(propan-2-yl)-1,2,3,5,6,7-hexahydro-s-indacene;2,6-di(propan-2-yl)-2,3,5,6-tetrahydrofuro[3,2-f][1]benzofuran;2,6-di(propan-2-yl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;methane
CID 157325038
8-[10-(1,10-Phenanthrolin-2-yl)anthracen-9-yl]-[1]benzofuro[2,3-b]pyrazine;8-(1,10-phenanthrolin-2-yl)-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine;8-[4-(1,10-phenanthrolin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyrazine
CID 157378503
5-(9,10-Diphenylanthracen-2-yl)-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-ethylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(1,10-phenanthrolin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(2-phenylbenzimidazol-1-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene;5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 157439788
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
CID 157536659
CID 157536659
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide;5-(1H-indol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 157562051

Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The IUPAC name of 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (CID 161246774) is 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.
What is the SMILES notation for 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The canonical SMILES for 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is CC(C)C1=Cc2cc3c(cc2C1)C=C(C(C)C)C3.CC(C)C1CCc2cc3c(cc2C1)NC(=O)C(C(C)C)C3.CC(C)C1Cc2cc3c(nc2N1)CC(C(C)C)O3.CC(C)N1CCc2cc3c(cc2C1)CN(C(C)C)CC3.CC(C)N1Cc2cc3c(cc2C1)CN(C(C)C)C3.CC(C)c1cc2cc3cc(C(C)C)oc3cc2o1.CC(C)c1cc2nc3cc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1cc2nc3cc(C(C)C)oc3cc2o1.CC(C)c1ccc2cc3ncc(C(C)C)cc3cc2c1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3.
What is the InChIKey of 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The InChIKey is VASWJZSEJZINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.C19H21N.C18H28N2.C18H26N2.C18H22.C16H24N2.C16H18O2.C15H19N3.C15H22N2O.C15H17NO2/c1-11(2)13-5-6-14-8-16-9-17(12(3)4)19(21)20-18(16)10-15(14)7-13;1-12(2)14-5-6-15-10-19-17(8-16(15)7-14)9-18(11-20-19)13(3)4;1-13(2)19-7-5-15-9-16-6-8-20(14(3)4)12-18(16)10-17(15)11-19;1-11(2)13-5-7-14-9-16-17(10-15(14)8-6-13)20-18(19-16)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-11(2)17-7-13-5-15-9-18(12(3)4)10-16(15)6-14(13)8-17;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-8(2)10-5-12-14(16-10)7-15-13(18-12)6-11(17-15)9(3)4;1-8(2)11-5-10-6-14-12(17-15(10)16-11)7-13(18-14)9(3)4;1-8(2)12-5-10-14(17-12)7-15-11(16-10)6-13(18-15)9(3)4/h8,10-13,17H,5-7,9H2,1-4H3,(H,20,21);5-13H,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);5,8-12H,6-7H2,1-4H3;5-6,11-12H,7-10H2,1-4H3;5-10H,1-4H3;5-9,16-17H,1-4H3;6,8-9,11,13H,5,7H2,1-4H3,(H,16,17);5-9H,1-4H3.
What are the key properties of 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene has a molecular weight of 2547.74 g/mol, XLogP of 43.49, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)benzo[g]quinoline;2,6-di(propan-2-yl)-1,5-dihydro-s-indacene;5,11-di(propan-2-yl)-6,10-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;2,6-di(propan-2-yl)furo[3,2-f][1]benzofuran;3,8-di(propan-2-yl)-3,4,6,7,8,9-hexahydro-1H-benzo[g]quinolin-2-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;2,8-di(propan-2-yl)-1,3,4,6,7,9-hexahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-10-oxa-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-triene;2,6-di(propan-2-yl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindole;5,11-di(propan-2-yl)-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is sourced from PubChem (CID 161246774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).