2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline

C199H279N21O7 — CID 159065570

IUPAC2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline
SMILESCC(C)C1CCc2cc3c(cc2C1)CC(C(C)C)CC3.CC(C)C1COc2cc3c(cc2C1)OC(C(C)C)CC3.CC(C)C1Cc2cc3c(cc2C1)CC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2CN1)CNC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2N1)CC(C(C)C)O3.CC(C)C1Cc2cc3c(cc2N1)NC(C(C)C)C3.CC(C)c1cc2nc3oc(C(C)C)cc3cc2[nH]1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)C(=O)C3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)CC3.CC(C)c1nc2cc3nc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1nc2cc3nc(C(C)C)oc3cc2o1
InChIInChI=1S/C20H30.C18H28N2.C18H26N2.C18H26O2.C18H26.C16H21N3O.C16H23N3.C16H24N2.C16H23NO.C15H18N2O.C14H18N4.C14H16N2O2/c1-13(2)15-5-7-17-11-18-8-6-16(14(3)4)10-20(18)12-19(17)9-15;1-11(2)17-7-13-5-14-8-18(12(3)4)20-10-16(14)6-15(13)9-19-17;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)15-7-14-9-18-13(8-17(14)19-10-15)5-6-16(20-18)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-9(2)16-17-13-5-11-7-15(20)19(10(3)4)8-12(11)6-14(13)18-16;1-10(2)16-17-14-7-12-5-6-19(11(3)4)9-13(12)8-15(14)18-16;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-9(2)13-5-11-7-16-12(6-14(11)17-13)8-15(18-16)10(3)4;1-8(2)11-7-13-12(16-11)5-10-6-14(9(3)4)18-15(10)17-13;1-7(2)13-15-9-5-11-12(6-10(9)16-13)18-14(17-11)8(3)4;1-7(2)13-15-9-5-10-12(6-11(9)17-13)18-14(16-10)8(3)4/h11-16H,5-10H2,1-4H3;5-6,11-12,17-20H,7-10H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);8-9,11-12,15-16H,5-7,10H2,1-4H3;9-14H,5-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3,(H,17,18);7-8,10-11H,5-6,9H2,1-4H3,(H,17,18);5,8-10,13-14,17-18H,6-7H2,1-4H3;6-7,9-10,13,15,17H,5,8H2,1-4H3;5-9,16H,1-4H3;5-8H,1-4H3,(H,15,16)(H,17,18);5-8H,1-4H3
InChIKeyJYZWXSYPJQTPFS-UHFFFAOYSA-N
MW3077.56 g/mol
LogP47.94
Rot. Bonds24

About 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline

2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline (PubChem CID 159065570) has the molecular formula C199H279N21O7 and a molecular weight of 3077.56 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline
PubChem CID159065570
Molecular FormulaC199H279N21O7
Molecular Weight3077.56 g/mol
Exact Mass3075.21
IUPAC Name2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline
SMILESCC(C)C1CCc2cc3c(cc2C1)CC(C(C)C)CC3.CC(C)C1COc2cc3c(cc2C1)OC(C(C)C)CC3.CC(C)C1Cc2cc3c(cc2C1)CC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2CN1)CNC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2N1)CC(C(C)C)O3.CC(C)C1Cc2cc3c(cc2N1)NC(C(C)C)C3.CC(C)c1cc2nc3oc(C(C)C)cc3cc2[nH]1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)C(=O)C3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)CC3.CC(C)c1nc2cc3nc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1nc2cc3nc(C(C)C)oc3cc2o1
InChIInChI=1S/C20H30.C18H28N2.C18H26N2.C18H26O2.C18H26.C16H21N3O.C16H23N3.C16H24N2.C16H23NO.C15H18N2O.C14H18N4.C14H16N2O2/c1-13(2)15-5-7-17-11-18-8-6-16(14(3)4)10-20(18)12-19(17)9-15;1-11(2)17-7-13-5-14-8-18(12(3)4)20-10-16(14)6-15(13)9-19-17;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)15-7-14-9-18-13(8-17(14)19-10-15)5-6-16(20-18)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-9(2)16-17-13-5-11-7-15(20)19(10(3)4)8-12(11)6-14(13)18-16;1-10(2)16-17-14-7-12-5-6-19(11(3)4)9-13(12)8-15(14)18-16;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-9(2)13-5-11-7-16-12(6-14(11)17-13)8-15(18-16)10(3)4;1-8(2)11-7-13-12(16-11)5-10-6-14(9(3)4)18-15(10)17-13;1-7(2)13-15-9-5-11-12(6-10(9)16-13)18-14(17-11)8(3)4;1-7(2)13-15-9-5-10-12(6-11(9)17-13)18-14(16-10)8(3)4/h11-16H,5-10H2,1-4H3;5-6,11-12,17-20H,7-10H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);8-9,11-12,15-16H,5-7,10H2,1-4H3;9-14H,5-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3,(H,17,18);7-8,10-11H,5-6,9H2,1-4H3,(H,17,18);5,8-10,13-14,17-18H,6-7H2,1-4H3;6-7,9-10,13,15,17H,5,8H2,1-4H3;5-9,16H,1-4H3;5-8H,1-4H3,(H,15,16)(H,17,18);5-8H,1-4H3
InChIKeyJYZWXSYPJQTPFS-UHFFFAOYSA-N
XLogP47.94
TPSA348.67 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.56
LogP ≤ 547.94
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline?
The IUPAC name of 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline (CID 159065570) is 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline.
What is the SMILES notation for 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline?
The canonical SMILES for 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline is CC(C)C1CCc2cc3c(cc2C1)CC(C(C)C)CC3.CC(C)C1COc2cc3c(cc2C1)OC(C(C)C)CC3.CC(C)C1Cc2cc3c(cc2C1)CC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2CN1)CNC(C(C)C)C3.CC(C)C1Cc2cc3c(cc2N1)CC(C(C)C)O3.CC(C)C1Cc2cc3c(cc2N1)NC(C(C)C)C3.CC(C)c1cc2nc3oc(C(C)C)cc3cc2[nH]1.CC(C)c1nc2cc3c(cc2[nH]1)CCC(C(C)C)CC3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)C(=O)C3.CC(C)c1nc2cc3c(cc2[nH]1)CN(C(C)C)CC3.CC(C)c1nc2cc3nc(C(C)C)[nH]c3cc2[nH]1.CC(C)c1nc2cc3nc(C(C)C)oc3cc2o1.
What is the InChIKey of 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline?
The InChIKey is JYZWXSYPJQTPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.C18H28N2.C18H26N2.C18H26O2.C18H26.C16H21N3O.C16H23N3.C16H24N2.C16H23NO.C15H18N2O.C14H18N4.C14H16N2O2/c1-13(2)15-5-7-17-11-18-8-6-16(14(3)4)10-20(18)12-19(17)9-15;1-11(2)17-7-13-5-14-8-18(12(3)4)20-10-16(14)6-15(13)9-19-17;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)15-7-14-9-18-13(8-17(14)19-10-15)5-6-16(20-18)12(3)4;1-11(2)13-5-15-9-17-7-14(12(3)4)8-18(17)10-16(15)6-13;1-9(2)16-17-13-5-11-7-15(20)19(10(3)4)8-12(11)6-14(13)18-16;1-10(2)16-17-14-7-12-5-6-19(11(3)4)9-13(12)8-15(14)18-16;1-9(2)13-6-11-5-12-7-14(10(3)4)18-16(12)8-15(11)17-13;1-9(2)13-5-11-7-16-12(6-14(11)17-13)8-15(18-16)10(3)4;1-8(2)11-7-13-12(16-11)5-10-6-14(9(3)4)18-15(10)17-13;1-7(2)13-15-9-5-11-12(6-10(9)16-13)18-14(17-11)8(3)4;1-7(2)13-15-9-5-10-12(6-11(9)17-13)18-14(16-10)8(3)4/h11-16H,5-10H2,1-4H3;5-6,11-12,17-20H,7-10H2,1-4H3;9-13H,5-8H2,1-4H3,(H,19,20);8-9,11-12,15-16H,5-7,10H2,1-4H3;9-14H,5-8H2,1-4H3;5-6,9-10H,7-8H2,1-4H3,(H,17,18);7-8,10-11H,5-6,9H2,1-4H3,(H,17,18);5,8-10,13-14,17-18H,6-7H2,1-4H3;6-7,9-10,13,15,17H,5,8H2,1-4H3;5-9,16H,1-4H3;5-8H,1-4H3,(H,15,16)(H,17,18);5-8H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline?
2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline has a molecular weight of 3077.56 g/mol, XLogP of 47.94, 24 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole;2,6-di(propan-2-yl)-5,8-dihydro-3H-imidazo[4,5-g]isoquinolin-7-one;2,7-di(propan-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[f]benzimidazole;3,7-di(propan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene;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;2,7-di(propan-2-yl)-1,2,3,4,5,6,7,8-octahydroanthracene;3,7-di(propan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[4,3-g]isoquinoline;5,11-di(propan-2-yl)-4-oxa-2,10-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-f][1,3]benzoxazole;2,6-di(propan-2-yl)-3,5,6,7-tetrahydro-2H-furo[2,3-f]indole;2,6-di(propan-2-yl)-3,5,7,8-tetrahydroimidazo[4,5-g]isoquinoline is sourced from PubChem (CID 159065570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).