5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol

C138H132N24O12 — CID 101163685

About 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol

5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol (PubChem CID 101163685) has the molecular formula C138H132N24O12 and a molecular weight of 2318.73 g/mol. Its IUPAC name is 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol.

Molecular Properties

• Compound Name: 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
• PubChem CID: 101163685
• Molecular Formula: C138H132N24O12
• Molecular Weight: 2318.73 g/mol
• Exact Mass: 2317.05
• IUPAC Name: 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol
• SMILES: CC(C)(C)c1ccc(O)c(/N=N/c2ccc(/N=N\c3cc4c(O)c(c3)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)C4)cc2)c1
• InChI: InChI=1S/C138H132N24O12/c1-133(2,3)91-19-49-121(163)115(73-91)157-145-103-37-25-97(26-38-103)139-151-109-61-79-55-81-63-110(152-140-98-27-39-104(40-28-98)146-158-116-74-92(134(4,5)6)20-50-122(116)164)65-83(128(81)170)57-85-67-112(154-142-100-31-43-106(44-32-100)148-160-118-76-94(136(10,11)12)22-52-124(118)166)69-87(130(85)172)59-89-71-114(156-144-102-35-47-108(48-36-102)150-162-120-78-96(138(16,17)18)24-54-126(120)168)72-90(132(89)174)60-88-70-113(155-143-101-33-45-107(46-34-101)149-161-119-77-95(137(13,14)15)23-53-125(119)167)68-86(131(88)173)58-84-66-111(64-82(129(84)171)56-80(62-109)127(79)169)153-141-99-29-41-105(42-30-99)147-159-117-75-93(135(7,8)9)21-51-123(117)165/h19-54,61-78,163-174H,55-60H2,1-18H3/b151-139-,152-140+,153-141+,154-142+,155-143+,156-144+,157-145+,158-146+,159-147+,160-148+,161-149+,162-150+
• InChIKey: SATJOTZBJAWGLS-UVBYMMQLSA-N
• XLogP: 42.78
• TPSA: 539.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.73
LogP ≤ 5	42.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol?

The IUPAC name of 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol (CID 101163685) is 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol.

What is the SMILES notation for 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol?

The canonical SMILES for 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol is CC(C)(C)c1ccc(O)c(/N=N/c2ccc(/N=N\c3cc4c(O)c(c3)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)Cc3cc(/N=N/c5ccc(/N=N/c6cc(C(C)(C)C)ccc6O)cc5)cc(c3O)C4)cc2)c1.

What is the InChIKey of 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol?

The InChIKey is SATJOTZBJAWGLS-UVBYMMQLSA-N. The full InChI is InChI=1S/C138H132N24O12/c1-133(2,3)91-19-49-121(163)115(73-91)157-145-103-37-25-97(26-38-103)139-151-109-61-79-55-81-63-110(152-140-98-27-39-104(40-28-98)146-158-116-74-92(134(4,5)6)20-50-122(116)164)65-83(128(81)170)57-85-67-112(154-142-100-31-43-106(44-32-100)148-160-118-76-94(136(10,11)12)22-52-124(118)166)69-87(130(85)172)59-89-71-114(156-144-102-35-47-108(48-36-102)150-162-120-78-96(138(16,17)18)24-54-126(120)168)72-90(132(89)174)60-88-70-113(155-143-101-33-45-107(46-34-101)149-161-119-77-95(137(13,14)15)23-53-125(119)167)68-86(131(88)173)58-84-66-111(64-82(129(84)171)56-80(62-109)127(79)169)153-141-99-29-41-105(42-30-99)147-159-117-75-93(135(7,8)9)21-51-123(117)165/h19-54,61-78,163-174H,55-60H2,1-18H3/b151-139-,152-140+,153-141+,154-142+,155-143+,156-144+,157-145+,158-146+,159-147+,160-148+,161-149+,162-150+.

What are the key properties of 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol?

5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol has a molecular weight of 2318.73 g/mol, XLogP of 42.78, 24 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29,35-hexakis[[4-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]phenyl]diazenyl]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol is sourced from PubChem (CID 101163685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).