7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine

C264H200F6N16O22S2Si2 — CID 160825470

IUPAC7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine
SMILESCC(C)(C)c1cccc2nc(-c3cc4oc(-c5nc6cccc(C(C)(C)C)c6s5)cc4o3)oc12.CC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)oc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)oc12.Cc1cc(C)c2oc(-c3cc4oc(-c5nc6cc(C)cc(C)c6o5)cc4o3)nc2c1.Cc1cc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)oc4c3-c3ccccc3)oc2cc1C.Cc1ccc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6ccc(C)cc6s5)oc4c3C(C)(C)C)oc2c1.Cc1ccc2oc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)ccc6o5)oc4c3-c3ccccc3)nc2c1.c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cc(-c4ccccn4)ccc2-3)nc1.c1ccc(C2=C(c3ccccc3)[Si](c3ccc(-c4ccccc4)nc3)(c3ccc(-c4ccccc4)nc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C50H36N2Si.C36H26N2O4.C34H22N2O4.C34H22N2Si.C30H30N2O3S.C28H20F6N2O4.C28H26N2O3S.C24H18N2O4/c1-7-19-37(20-8-1)45-33-31-43(35-51-45)53(44-32-34-46(52-36-44)38-21-9-2-10-22-38)49(41-27-15-5-16-28-41)47(39-23-11-3-12-24-39)48(40-25-13-4-14-26-40)50(53)42-29-17-6-18-30-42;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;1-19-13-15-25-23(17-19)35-33(37-25)31-27(21-9-5-3-6-10-21)29-30(39-31)28(22-11-7-4-8-12-22)32(40-29)34-36-24-18-20(2)14-16-26(24)38-34;1-3-13-31-25(9-1)26-10-2-4-14-32(26)37(31)33-21-23(29-11-5-7-19-35-29)15-17-27(33)28-18-16-24(22-34(28)37)30-12-6-8-20-36-30;1-15-9-11-17-19(13-15)33-27(31-17)25-21(29(3,4)5)23-24(34-25)22(30(6,7)8)26(35-23)28-32-18-12-10-16(2)14-20(18)36-28;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-27(2,3)15-9-7-11-17-23(15)33-25(29-17)21-13-19-20(31-21)14-22(32-19)26-30-18-12-8-10-16(24(18)34-26)28(4,5)6;1-11-5-13(3)21-15(7-11)25-23(29-21)19-9-17-18(27-19)10-20(28-17)24-26-16-8-12(2)6-14(4)22(16)30-24/h1-36H;5-18H,1-4H3;3-18H,1-2H3;1-22H;9-14H,1-8H3;5-12H,1-4H3;7-14H,1-6H3;5-10H,1-4H3
InChIKeySGCHCVKDYNDAFZ-UHFFFAOYSA-N
MW4182.89 g/mol
LogP70.47
Rot. Bonds28

About 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine

7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine (PubChem CID 160825470) has the molecular formula C264H200F6N16O22S2Si2 and a molecular weight of 4182.89 g/mol. Its IUPAC name is 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine.

Molecular Properties

Compound Name7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine
PubChem CID160825470
Molecular FormulaC264H200F6N16O22S2Si2
Molecular Weight4182.89 g/mol
Exact Mass4179.39
IUPAC Name7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine
SMILESCC(C)(C)c1cccc2nc(-c3cc4oc(-c5nc6cccc(C(C)(C)C)c6s5)cc4o3)oc12.CC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)oc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)oc12.Cc1cc(C)c2oc(-c3cc4oc(-c5nc6cc(C)cc(C)c6o5)cc4o3)nc2c1.Cc1cc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)oc4c3-c3ccccc3)oc2cc1C.Cc1ccc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6ccc(C)cc6s5)oc4c3C(C)(C)C)oc2c1.Cc1ccc2oc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)ccc6o5)oc4c3-c3ccccc3)nc2c1.c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cc(-c4ccccn4)ccc2-3)nc1.c1ccc(C2=C(c3ccccc3)[Si](c3ccc(-c4ccccc4)nc3)(c3ccc(-c4ccccc4)nc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C50H36N2Si.C36H26N2O4.C34H22N2O4.C34H22N2Si.C30H30N2O3S.C28H20F6N2O4.C28H26N2O3S.C24H18N2O4/c1-7-19-37(20-8-1)45-33-31-43(35-51-45)53(44-32-34-46(52-36-44)38-21-9-2-10-22-38)49(41-27-15-5-16-28-41)47(39-23-11-3-12-24-39)48(40-25-13-4-14-26-40)50(53)42-29-17-6-18-30-42;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;1-19-13-15-25-23(17-19)35-33(37-25)31-27(21-9-5-3-6-10-21)29-30(39-31)28(22-11-7-4-8-12-22)32(40-29)34-36-24-18-20(2)14-16-26(24)38-34;1-3-13-31-25(9-1)26-10-2-4-14-32(26)37(31)33-21-23(29-11-5-7-19-35-29)15-17-27(33)28-18-16-24(22-34(28)37)30-12-6-8-20-36-30;1-15-9-11-17-19(13-15)33-27(31-17)25-21(29(3,4)5)23-24(34-25)22(30(6,7)8)26(35-23)28-32-18-12-10-16(2)14-20(18)36-28;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-27(2,3)15-9-7-11-17-23(15)33-25(29-17)21-13-19-20(31-21)14-22(32-19)26-30-18-12-8-10-16(24(18)34-26)28(4,5)6;1-11-5-13(3)21-15(7-11)25-23(29-21)19-9-17-18(27-19)10-20(28-17)24-26-16-8-12(2)6-14(4)22(16)30-24/h1-36H;5-18H,1-4H3;3-18H,1-2H3;1-22H;9-14H,1-8H3;5-12H,1-4H3;7-14H,1-6H3;5-10H,1-4H3
InChIKeySGCHCVKDYNDAFZ-UHFFFAOYSA-N
XLogP70.47
TPSA495.32 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004182.89
LogP ≤ 570.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[3,6-Ditert-butyl-5-(5,6-dimethyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[5-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzothiazole;2-[3,6-dimethyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-diphenyl-1,3-benzothiazol-2-yl)-3,6-dimethylfuro[3,2-b]furan-2-yl]-5,6-diphenyl-1,3-benzoxazole;2-[3,6-diphenyl-5-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzothiazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]thieno[3,2-b]thiophen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;4-methyl-2-[5-(4-methyl-6-phenyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-phenyl-1,3-benzothiazole
CID 159239133

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine?
The IUPAC name of 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine (CID 160825470) is 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine.
What is the SMILES notation for 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine?
The canonical SMILES for 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine is CC(C)(C)c1cccc2nc(-c3cc4oc(-c5nc6cccc(C(C)(C)C)c6s5)cc4o3)oc12.CC(C)c1c(-c2nc3ccc(C(F)(F)F)cc3o2)oc2c(C(C)C)c(-c3nc4ccc(C(F)(F)F)cc4o3)oc12.Cc1cc(C)c2oc(-c3cc4oc(-c5nc6cc(C)cc(C)c6o5)cc4o3)nc2c1.Cc1cc2nc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)c(C)cc6o5)oc4c3-c3ccccc3)oc2cc1C.Cc1ccc2nc(-c3oc4c(C(C)(C)C)c(-c5nc6ccc(C)cc6s5)oc4c3C(C)(C)C)oc2c1.Cc1ccc2oc(-c3oc4c(-c5ccccc5)c(-c5nc6cc(C)ccc6o5)oc4c3-c3ccccc3)nc2c1.c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2cc(-c4ccccn4)ccc2-3)nc1.c1ccc(C2=C(c3ccccc3)[Si](c3ccc(-c4ccccc4)nc3)(c3ccc(-c4ccccc4)nc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine?
The InChIKey is SGCHCVKDYNDAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2Si.C36H26N2O4.C34H22N2O4.C34H22N2Si.C30H30N2O3S.C28H20F6N2O4.C28H26N2O3S.C24H18N2O4/c1-7-19-37(20-8-1)45-33-31-43(35-51-45)53(44-32-34-46(52-36-44)38-21-9-2-10-22-38)49(41-27-15-5-16-28-41)47(39-23-11-3-12-24-39)48(40-25-13-4-14-26-40)50(53)42-29-17-6-18-30-42;1-19-15-25-27(17-21(19)3)39-35(37-25)33-29(23-11-7-5-8-12-23)31-32(41-33)30(24-13-9-6-10-14-24)34(42-31)36-38-26-16-20(2)22(4)18-28(26)40-36;1-19-13-15-25-23(17-19)35-33(37-25)31-27(21-9-5-3-6-10-21)29-30(39-31)28(22-11-7-4-8-12-22)32(40-29)34-36-24-18-20(2)14-16-26(24)38-34;1-3-13-31-25(9-1)26-10-2-4-14-32(26)37(31)33-21-23(29-11-5-7-19-35-29)15-17-27(33)28-18-16-24(22-34(28)37)30-12-6-8-20-36-30;1-15-9-11-17-19(13-15)33-27(31-17)25-21(29(3,4)5)23-24(34-25)22(30(6,7)8)26(35-23)28-32-18-12-10-16(2)14-20(18)36-28;1-11(2)19-21-22(40-23(19)25-35-15-7-5-13(27(29,30)31)9-17(15)37-25)20(12(3)4)24(39-21)26-36-16-8-6-14(28(32,33)34)10-18(16)38-26;1-27(2,3)15-9-7-11-17-23(15)33-25(29-17)21-13-19-20(31-21)14-22(32-19)26-30-18-12-8-10-16(24(18)34-26)28(4,5)6;1-11-5-13(3)21-15(7-11)25-23(29-21)19-9-17-18(27-19)10-20(28-17)24-26-16-8-12(2)6-14(4)22(16)30-24/h1-36H;5-18H,1-4H3;3-18H,1-2H3;1-22H;9-14H,1-8H3;5-12H,1-4H3;7-14H,1-6H3;5-10H,1-4H3.
What are the key properties of 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine?
7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine has a molecular weight of 4182.89 g/mol, XLogP of 70.47, 28 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-[5-(7-tert-butyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-1,3-benzoxazole;2-[3,6-ditert-butyl-5-(6-methyl-1,3-benzothiazol-2-yl)furo[3,2-b]furan-2-yl]-6-methyl-1,3-benzoxazole;2-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-5,6-dimethyl-1,3-benzoxazole;2-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)furo[3,2-b]furan-2-yl]-5,7-dimethyl-1,3-benzoxazole;2-[3,6-di(propan-2-yl)-5-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]furo[3,2-b]furan-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole;5-methyl-2-[5-(5-methyl-1,3-benzoxazol-2-yl)-3,6-diphenylfuro[3,2-b]furan-2-yl]-1,3-benzoxazole;2-phenyl-5-[2,3,4,5-tetraphenyl-1-(6-phenyl-3-pyridinyl)silol-1-yl]pyridine;2-(3'-pyridin-2-yl-5,5'-spirobi[benzo[b][1]benzosilole]-7'-yl)pyridine is sourced from PubChem (CID 160825470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).