5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

C92H96O4 — CID 134941030

IUPAC5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESCOc1c2cc(C(C)(C)C)cc1C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)c2ccccc12
InChIInChI=1S/C92H96O4/c1-53-37-41-69(65-33-25-21-29-61(53)65)81-73-45-57(89(5,6)7)47-75(85(73)93-17)82(70-42-38-54(2)62-30-22-26-34-66(62)70)77-49-59(91(11,12)13)51-79(87(77)95-19)84(72-44-40-56(4)64-32-24-28-36-68(64)72)80-52-60(92(14,15)16)50-78(88(80)96-20)83(71-43-39-55(3)63-31-23-27-35-67(63)71)76-48-58(90(8,9)10)46-74(81)86(76)94-18/h21-52,81-84H,1-20H3
InChIKeyPZSNOTHLWNLHLZ-UHFFFAOYSA-N
MW1265.78 g/mol
LogP23.79
Rot. Bonds8

About 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (PubChem CID 134941030) has the molecular formula C92H96O4 and a molecular weight of 1265.78 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
PubChem CID134941030
Molecular FormulaC92H96O4
Molecular Weight1265.78 g/mol
Exact Mass1264.73
IUPAC Name5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESCOc1c2cc(C(C)(C)C)cc1C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)c2ccccc12
InChIInChI=1S/C92H96O4/c1-53-37-41-69(65-33-25-21-29-61(53)65)81-73-45-57(89(5,6)7)47-75(85(73)93-17)82(70-42-38-54(2)62-30-22-26-34-66(62)70)77-49-59(91(11,12)13)51-79(87(77)95-19)84(72-44-40-56(4)64-32-24-28-36-68(64)72)80-52-60(92(14,15)16)50-78(88(80)96-20)83(71-43-39-55(3)63-31-23-27-35-67(63)71)76-48-58(90(8,9)10)46-74(81)86(76)94-18/h21-52,81-84H,1-20H3
InChIKeyPZSNOTHLWNLHLZ-UHFFFAOYSA-N
XLogP23.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.78
LogP ≤ 523.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene with MolForge

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Related Compounds

5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,4-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 53496277
tris(acetonitrile);chloroform;5,11,17,23,29,35,41,47-octatert-butyl-2,8,14,20,26,32,38,44-octakis(2,5-dimethylphenyl)-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 139091972
2,8,14,20,26,32,38,44-octabromo-5,11,17,23,29,35,41,47-octatert-butyl-49,50,51,52,53,54,55,56-octamethoxynonacyclo[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),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene
CID 12036408
2,8,14,20,26-pentabromo-5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentamethoxyhexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 102597562
5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,14-diphenyl-8,20-bis(2,4,6-trimethylphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-diol
CID 53304249
5,11,17,23-tetratert-butyl-8,20-bis(4-tert-butylphenyl)-25,26,27,28-tetramethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-2,14-dione
CID 53306306
5-tert-butyl-2-methoxy-3-methylaniline
CID 21353746
4-tert-butyl-2-(5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexamethoxy-2-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-octadecaenyl)phenol
CID 46222740
15,21-ditert-butylhexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13(18),14,16,19(24),20,22-undecaene
CID 154606120
2-(4-methylnaphthalen-1-yl)thiirane
CID 171782879
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
5-tert-butyl-1,2-dimethoxy-3-methylbenzene;ethane
CID 143060734

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The IUPAC name of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (CID 134941030) is 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.
What is the SMILES notation for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The canonical SMILES for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is COc1c2cc(C(C)(C)C)cc1C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C(c1ccc(C)c3ccccc13)c1cc(C(C)(C)C)cc(c1OC)C2c1ccc(C)c2ccccc12.
What is the InChIKey of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The InChIKey is PZSNOTHLWNLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H96O4/c1-53-37-41-69(65-33-25-21-29-61(53)65)81-73-45-57(89(5,6)7)47-75(85(73)93-17)82(70-42-38-54(2)62-30-22-26-34-66(62)70)77-49-59(91(11,12)13)51-79(87(77)95-19)84(72-44-40-56(4)64-32-24-28-36-68(64)72)80-52-60(92(14,15)16)50-78(88(80)96-20)83(71-43-39-55(3)63-31-23-27-35-67(63)71)76-48-58(90(8,9)10)46-74(81)86(76)94-18/h21-52,81-84H,1-20H3.
What are the key properties of 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene has a molecular weight of 1265.78 g/mol, XLogP of 23.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetratert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrakis(4-methylnaphthalen-1-yl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is sourced from PubChem (CID 134941030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).