4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene

C66H84O24 — CID 102526850

IUPAC4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene
SMILESCOc1c2c(OC)c(OC)c(c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)C2
InChIInChI=1S/C66H84O24/c1-67-43-31-25-33-47(71-5)51(75-9)35(52(76-10)48(33)72-6)27-37-55(79-13)59(83-17)39(60(84-18)56(37)80-14)29-41-63(87-21)65(89-23)42(66(90-24)64(41)88-22)30-40-61(85-19)57(81-15)38(58(82-16)62(40)86-20)28-36-53(77-11)49(73-7)34(50(74-8)54(36)78-12)26-32(44(43)68-2)46(70-4)45(31)69-3/h25-30H2,1-24H3
InChIKeyZNNAOMMVOKMUPB-UHFFFAOYSA-N
MW1261.37 g/mol
LogP9.75
Rot. Bonds24

About 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene

4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene (PubChem CID 102526850) has the molecular formula C66H84O24 and a molecular weight of 1261.37 g/mol. Its IUPAC name is 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene.

Molecular Properties

Compound Name4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene
PubChem CID102526850
Molecular FormulaC66H84O24
Molecular Weight1261.37 g/mol
Exact Mass1260.54
IUPAC Name4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene
SMILESCOc1c2c(OC)c(OC)c(c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)C2
InChIInChI=1S/C66H84O24/c1-67-43-31-25-33-47(71-5)51(75-9)35(52(76-10)48(33)72-6)27-37-55(79-13)59(83-17)39(60(84-18)56(37)80-14)29-41-63(87-21)65(89-23)42(66(90-24)64(41)88-22)30-40-61(85-19)57(81-15)38(58(82-16)62(40)86-20)28-36-53(77-11)49(73-7)34(50(74-8)54(36)78-12)26-32(44(43)68-2)46(70-4)45(31)69-3/h25-30H2,1-24H3
InChIKeyZNNAOMMVOKMUPB-UHFFFAOYSA-N
XLogP9.75
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.37
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene with MolForge

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Related Compounds

4,6,10,12,16,18,22,24-octabromo-5,11,17,23,25,26,27,28-octamethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 15866168
1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780
2,7-dimethoxytricyclo[6.2.0.03,6]deca-1,3(6),7-triene-4,10-dione
CID 56589909
1-(2,4-dihydroxy-5-methoxy-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)-2-hydroxypropan-1-one
CID 141224191
4,6,11,13,18,20,25,27-octamethoxy-5,12,19,26-tetrakis(prop-2-enoxy)pentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene
CID 71734980
4-(1,2,3,4-tetramethoxy-5,6,8,9-tetrahydrobenzo[7]annulen-7-ylidene)butanoic acid
CID 56992768
dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
CID 53254578
7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
CID 102373586
1-[11,17,23-tri(ethanethioyl)-25,26,27,28-tetramethoxy-5-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-dodecaenyl]ethanethione
CID 102578387
1,3,5-triiodo-2,4,6-trimethoxybenzene
CID 15832239
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
1,2,3,4,5,6,7,8-octamethoxyanthracene
CID 174988413

Frequently Asked Questions

What is the IUPAC name of 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene?
The IUPAC name of 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene (CID 102526850) is 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene.
What is the SMILES notation for 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene?
The canonical SMILES for 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene is COc1c2c(OC)c(OC)c(c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)Cc1c(OC)c(OC)c(c(OC)c1OC)C2.
What is the InChIKey of 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene?
The InChIKey is ZNNAOMMVOKMUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H84O24/c1-67-43-31-25-33-47(71-5)51(75-9)35(52(76-10)48(33)72-6)27-37-55(79-13)59(83-17)39(60(84-18)56(37)80-14)29-41-63(87-21)65(89-23)42(66(90-24)64(41)88-22)30-40-61(85-19)57(81-15)38(58(82-16)62(40)86-20)28-36-53(77-11)49(73-7)34(50(74-8)54(36)78-12)26-32(44(43)68-2)46(70-4)45(31)69-3/h25-30H2,1-24H3.
What are the key properties of 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene?
4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene has a molecular weight of 1261.37 g/mol, XLogP of 9.75, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9,10,14,15,19,20,24,25,29,30,31,32,33,34,35,36,37,38,39,40,41,42-tetracosamethoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(31),3,5,8,10,13,15,18(36),19,21(35),23(34),24,26(33),28(32),29,37,39,41-octadecaene is sourced from PubChem (CID 102526850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).