35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol

C69H74O8 — CID 10510259

IUPAC35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
SMILESCc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
InChIInChI=1S/C69H74O8/c1-35-13-44-27-50-19-38(4)23-57(65(50)74)42(8)59-25-40(6)21-52(67(59)76)29-46-15-36(2)17-48(62(46)71)31-54-33-56(69(10,11)12)34-55(64(54)73)32-49-18-37(3)16-47(63(49)72)30-53-22-41(7)26-60(68(53)77)43(9)58-24-39(5)20-51(66(58)75)28-45(14-35)61(44)70/h13-26,33-34,42-43,70-77H,27-32H2,1-12H3
InChIKeyQPOZLVMOUTWTMP-UHFFFAOYSA-N
MW1031.34 g/mol
LogP14.95
Rot. Bonds

About 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol

35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol (PubChem CID 10510259) has the molecular formula C69H74O8 and a molecular weight of 1031.34 g/mol. Its IUPAC name is 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol.

Molecular Properties

Compound Name35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
PubChem CID10510259
Molecular FormulaC69H74O8
Molecular Weight1031.34 g/mol
Exact Mass1030.54
IUPAC Name35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol
SMILESCc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
InChIInChI=1S/C69H74O8/c1-35-13-44-27-50-19-38(4)23-57(65(50)74)42(8)59-25-40(6)21-52(67(59)76)29-46-15-36(2)17-48(62(46)71)31-54-33-56(69(10,11)12)34-55(64(54)73)32-49-18-37(3)16-47(63(49)72)30-53-22-41(7)26-60(68(53)77)43(9)58-24-39(5)20-51(66(58)75)28-45(14-35)61(44)70/h13-26,33-34,42-43,70-77H,27-32H2,1-12H3
InChIKeyQPOZLVMOUTWTMP-UHFFFAOYSA-N
XLogP14.95
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.34
LogP ≤ 514.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol?
The IUPAC name of 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol (CID 10510259) is 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol.
What is the SMILES notation for 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol?
The canonical SMILES for 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol is Cc1cc2c(O)c(c1)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C)cc(c1O)C(C)c1cc(C)cc(c1O)Cc1cc(C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2.
What is the InChIKey of 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol?
The InChIKey is QPOZLVMOUTWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H74O8/c1-35-13-44-27-50-19-38(4)23-57(65(50)74)42(8)59-25-40(6)21-52(67(59)76)29-46-15-36(2)17-48(62(46)71)31-54-33-56(69(10,11)12)34-55(64(54)73)32-49-18-37(3)16-47(63(49)72)30-53-22-41(7)26-60(68(53)77)43(9)58-24-39(5)20-51(66(58)75)28-45(14-35)61(44)70/h13-26,33-34,42-43,70-77H,27-32H2,1-12H3.
What are the key properties of 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol?
35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol has a molecular weight of 1031.34 g/mol, XLogP of 14.95, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 35-tert-butyl-2,5,11,17,20,23,29,41,47-nonamethylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15(54),16,18,21,23,25(53),27(52),28,30,33(51),34,36,39,41,43(50),45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol is sourced from PubChem (CID 10510259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).