5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol

C102H122Br2O10 — CID 134853615

About 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol

5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol (PubChem CID 134853615) has the molecular formula C102H122Br2O10 and a molecular weight of 1667.90 g/mol. Its IUPAC name is 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol.

Molecular Properties

• Compound Name: 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol
• PubChem CID: 134853615
• Molecular Formula: C102H122Br2O10
• Molecular Weight: 1667.90 g/mol
• Exact Mass: 1664.74
• IUPAC Name: 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(Br)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(Br)cc(c1O)C2
• InChI: InChI=1S/C102H122Br2O10/c1-95(2,3)75-35-55-25-56-36-76(96(4,5)6)40-60(86(56)106)28-64-44-80(100(16,17)18)48-68(90(64)110)32-73-53-84(104)54-74(94(73)114)34-70-50-82(102(22,23)24)46-66(92(70)112)30-62-42-78(98(10,11)12)38-58(88(62)108)26-57-37-77(97(7,8)9)41-61(87(57)107)29-65-45-81(101(19,20)21)49-69(91(65)111)33-72-52-83(103)51-71(93(72)113)31-67-47-79(99(13,14)15)43-63(89(67)109)27-59(39-75)85(55)105/h35-54,105-114H,25-34H2,1-24H3
• InChIKey: RLTRTTSQMDNTNC-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 202.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.90
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol?

The IUPAC name of 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol (CID 134853615) is 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol.

What is the SMILES notation for 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol?

The canonical SMILES for 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(Br)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(Br)cc(c1O)C2.

What is the InChIKey of 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol?

The InChIKey is RLTRTTSQMDNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H122Br2O10/c1-95(2,3)75-35-55-25-56-36-76(96(4,5)6)40-60(86(56)106)28-64-44-80(100(16,17)18)48-68(90(64)110)32-73-53-84(104)54-74(94(73)114)34-70-50-82(102(22,23)24)46-66(92(70)112)30-62-42-78(98(10,11)12)38-58(88(62)108)26-57-37-77(97(7,8)9)41-61(87(57)107)29-65-45-81(101(19,20)21)49-69(91(65)111)33-72-52-83(103)51-71(93(72)113)31-67-47-79(99(13,14)15)43-63(89(67)109)27-59(39-75)85(55)105/h35-54,105-114H,25-34H2,1-24H3.

What are the key properties of 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol?

5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol has a molecular weight of 1667.90 g/mol, XLogP of 24.87, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,35-dibromo-11,17,23,29,41,47,53,59-octatert-butylundecacyclo[55.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49.151,55]heptaconta-1(60),3,5,7(70),9,11,13(69),15,17,19(68),21(67),22,24,27(66),28,30,33(65),34,36,39,41,43(64),45,47,49(63),51(62),52,54,57(61),58-triacontaene-61,62,63,64,65,66,67,68,69,70-decol is sourced from PubChem (CID 134853615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).