5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol

C122H144N2O8 — CID 102352828

About 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol

5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol (PubChem CID 102352828) has the molecular formula C122H144N2O8 and a molecular weight of 1766.50 g/mol. Its IUPAC name is 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol.

Molecular Properties

• Compound Name: 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol
• PubChem CID: 102352828
• Molecular Formula: C122H144N2O8
• Molecular Weight: 1766.50 g/mol
• Exact Mass: 1765.09
• IUPAC Name: 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1-c1ccc3ccc4ccc(-c5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)C6)nc4c3n1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
• InChI: InChI=1S/C122H144N2O8/c1-113(2,3)89-47-69-37-73-51-91(115(7,8)9)55-77(105(73)125)41-81-59-95(119(19,20)21)63-85(109(81)129)45-86-64-96(120(22,23)24)60-82(110(86)130)42-78-56-92(116(10,11)12)52-74(106(78)126)38-70(48-89)101(69)99-35-33-67-31-32-68-34-36-100(124-104(68)103(67)123-99)102-71-39-75-53-93(117(13,14)15)57-79(107(75)127)43-83-61-97(121(25,26)27)65-87(111(83)131)46-88-66-98(122(28,29)30)62-84(112(88)132)44-80-58-94(118(16,17)18)54-76(108(80)128)40-72(102)50-90(49-71)114(4,5)6/h31-36,47-66,125-132H,37-46H2,1-30H3
• InChIKey: YOUNYXDMGHZXTH-UHFFFAOYSA-N
• XLogP: 29.27
• TPSA: 187.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.50
LogP ≤ 5	29.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol?

The IUPAC name of 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol (CID 102352828) is 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol.

What is the SMILES notation for 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol?

The canonical SMILES for 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1-c1ccc3ccc4ccc(-c5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)C6)nc4c3n1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2.

What is the InChIKey of 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol?

The InChIKey is YOUNYXDMGHZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H144N2O8/c1-113(2,3)89-47-69-37-73-51-91(115(7,8)9)55-77(105(73)125)41-81-59-95(119(19,20)21)63-85(109(81)129)45-86-64-96(120(22,23)24)60-82(110(86)130)42-78-56-92(116(10,11)12)52-74(106(78)126)38-70(48-89)101(69)99-35-33-67-31-32-68-34-36-100(124-104(68)103(67)123-99)102-71-39-75-53-93(117(13,14)15)57-79(107(75)127)43-83-61-97(121(25,26)27)65-87(111(83)131)46-88-66-98(122(28,29)30)62-84(112(88)132)44-80-58-94(118(16,17)18)54-76(108(80)128)40-72(102)50-90(49-71)114(4,5)6/h31-36,47-66,125-132H,37-46H2,1-30H3.

What are the key properties of 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol?

5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol has a molecular weight of 1766.50 g/mol, XLogP of 29.27, 2 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29-pentatert-butyl-35-[9-(5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrahydroxy-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaenyl)-1,10-phenanthrolin-2-yl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34-tetrol is sourced from PubChem (CID 102352828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).