carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))

C161H182O56Si10Y5-2 — CID 169427378

About carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))

carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)) (PubChem CID 169427378) has the molecular formula C161H182O56Si10Y5-2 and a molecular weight of 3738.56 g/mol. Its IUPAC name is carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)).

Molecular Properties

• Compound Name: carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))
• PubChem CID: 169427378
• Molecular Formula: C161H182O56Si10Y5-2
• Molecular Weight: 3738.56 g/mol
• Exact Mass: 3735.44
• IUPAC Name: carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))
• SMILES: C.C.C.CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccc(Cc6ccc7c(c6)C(=O)OC7=O)cc5)(c5ccc(Cc6ccc7c(c6)C(=O)OC7=O)cc5)CCC4(C)C3CCC12C.CCC(=O)OC(=O)CC.CCC(=O)OC(=O)CC.CCC(=O)OC(=O)CC.C[Si]1(CC2CC(=O)OC2=O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(CC5CC(=O)OC5=O)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3.O=C1CC2(CC(=O)O1)CC(=O)OC(=O)C2.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y]
• InChI: InChI=1S/C60H56O20Si10.C57H64O6.C9H8O6.3C6H10O3.5C2O3.3CH4.4CH3.5Y/c1-81(45-47-43-57(61)65-59(47)63)67-83(49-27-11-3-12-28-49)71-87(53-35-19-7-20-36-53)75-85(51-31-15-5-16-32-51)69-82(2,46-48-44-58(62)66-60(48)64)70-86(52-33-17-6-18-34-52)77-89(79-87,55-39-23-9-24-40-55)73-84(68-81,50-29-13-4-14-30-50)74-90(78-86,56-41-25-10-26-42-56)80-88(72-83,76-85)54-37-21-8-22-38-54;1-34(2)7-6-8-35(3)48-23-24-49-45-22-19-42-33-57(28-27-55(42,4)50(45)25-26-56(48,49)5,40-15-9-36(10-16-40)29-38-13-20-43-46(31-38)53(60)62-51(43)58)41-17-11-37(12-18-41)30-39-14-21-44-47(32-39)54(61)63-52(44)59;10-5-1-9(2-6(11)14-5)3-7(12)15-8(13)4-9;3*1-3-5(7)9-6(8)4-2;5*3-1-5-2-4;;;;;;;;;;;;/h3-42,47-48H,43-46H2,1-2H3;9-18,20-21,31-32,34-35,42,45,48-50H,6-8,19,22-30,33H2,1-5H3;1-4H2;3*3-4H2,1-2H3;;;;;;3*1H4;4*1H3;;;;;/q;;;;;;5*-2;;;;4*-1;;4*+3
• InChIKey: ZIMIXDFJTPNATB-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 736.40 Ų
• H-Bond Acceptors: 56
• Rotatable Bonds: 39
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3738.56
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))?

The IUPAC name of carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)) (CID 169427378) is carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)).

What is the SMILES notation for carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))?

The canonical SMILES for carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)) is C.C.C.CC(C)CCCC(C)C1CCC2C3CCC4CC(c5ccc(Cc6ccc7c(c6)C(=O)OC7=O)cc5)(c5ccc(Cc6ccc7c(c6)C(=O)OC7=O)cc5)CCC4(C)C3CCC12C.CCC(=O)OC(=O)CC.CCC(=O)OC(=O)CC.CCC(=O)OC(=O)CC.C[Si]1(CC2CC(=O)OC2=O)O[Si]2(c3ccccc3)O[Si]3(c4ccccc4)O[Si]4(c5ccccc5)O[Si](C)(CC5CC(=O)OC5=O)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O[Si](c6ccccc6)(O1)O[Si](c1ccccc1)(O5)O[Si](c1ccccc1)(O2)O4)O3.O=C1CC2(CC(=O)O1)CC(=O)OC(=O)C2.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.O=[C-]O[C-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[Y+3].[Y+3].[Y+3].[Y+3].[Y].

What is the InChIKey of carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))?

The InChIKey is ZIMIXDFJTPNATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56O20Si10.C57H64O6.C9H8O6.3C6H10O3.5C2O3.3CH4.4CH3.5Y/c1-81(45-47-43-57(61)65-59(47)63)67-83(49-27-11-3-12-28-49)71-87(53-35-19-7-20-36-53)75-85(51-31-15-5-16-32-51)69-82(2,46-48-44-58(62)66-60(48)64)70-86(52-33-17-6-18-34-52)77-89(79-87,55-39-23-9-24-40-55)73-84(68-81,50-29-13-4-14-30-50)74-90(78-86,56-41-25-10-26-42-56)80-88(72-83,76-85)54-37-21-8-22-38-54;1-34(2)7-6-8-35(3)48-23-24-49-45-22-19-42-33-57(28-27-55(42,4)50(45)25-26-56(48,49)5,40-15-9-36(10-16-40)29-38-13-20-43-46(31-38)53(60)62-51(43)58)41-17-11-37(12-18-41)30-39-14-21-44-47(32-39)54(61)63-52(44)59;10-5-1-9(2-6(11)14-5)3-7(12)15-8(13)4-9;3*1-3-5(7)9-6(8)4-2;5*3-1-5-2-4;;;;;;;;;;;;/h3-42,47-48H,43-46H2,1-2H3;9-18,20-21,31-32,34-35,42,45,48-50H,6-8,19,22-30,33H2,1-5H3;1-4H2;3*3-4H2,1-2H3;;;;;;3*1H4;4*1H3;;;;;/q;;;;;;5*-2;;;;4*-1;;4*+3.

What are the key properties of carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+))?

carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)) has a molecular weight of 3738.56 g/mol, XLogP of 17.99, 39 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3,9-dioxaspiro[5.5]undecane-2,4,8,10-tetrone;5-[[4-[3-[4-[(1,3-dioxo-2-benzofuran-5-yl)methyl]phenyl]-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]phenyl]methyl]-2-benzofuran-1,3-dione;3-[[19-[(2,5-dioxooxolan-3-yl)methyl]-9,19-dimethyl-1,3,5,7,11,13,15,17-octakis-phenyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24-tetradecaoxa-1,3,5,7,9,11,13,15,17,19-decasilapentacyclo[11.7.1.13,11.15,17.17,15]tetracosan-9-yl]methyl]oxolane-2,5-dione;methane;oxomethoxymethanone;propanoyl propanoate;yttrium;tetrakis(yttrium(3+)) is sourced from PubChem (CID 169427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).