4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene

C52H32O4 — CID 132531243

IUPAC4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
SMILESCOc1ccc2c(c1)c1ccc3c4cc(OC)ccc4c4ccc5c6ccc(OC)cc6c6ccc7c8cc(OC)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C52H32O4/c1-53-25-5-9-29-33-13-14-34-30-10-6-27(55-3)23-43(30)39-19-20-40-44-24-28(56-4)8-12-32(44)36-16-15-35-31-11-7-26(54-2)22-42(31)38-18-17-37(41(29)21-25)49-45(33)46(34)51(39)52(40)48(36)47(35)50(38)49/h5-24H,1-4H3
InChIKeyYTEQBOWUFNKLME-UHFFFAOYSA-N
MW720.82 g/mol
LogP13.87
Rot. Bonds4

About 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene

4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene (PubChem CID 132531243) has the molecular formula C52H32O4 and a molecular weight of 720.82 g/mol. Its IUPAC name is 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene.

Molecular Properties

Compound Name4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
PubChem CID132531243
Molecular FormulaC52H32O4
Molecular Weight720.82 g/mol
Exact Mass720.23
IUPAC Name4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene
SMILESCOc1ccc2c(c1)c1ccc3c4cc(OC)ccc4c4ccc5c6ccc(OC)cc6c6ccc7c8cc(OC)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C52H32O4/c1-53-25-5-9-29-33-13-14-34-30-10-6-27(55-3)23-43(30)39-19-20-40-44-24-28(56-4)8-12-32(44)36-16-15-35-31-11-7-26(54-2)22-42(31)38-18-17-37(41(29)21-25)49-45(33)46(34)51(39)52(40)48(36)47(35)50(38)49/h5-24H,1-4H3
InChIKeyYTEQBOWUFNKLME-UHFFFAOYSA-N
XLogP13.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.82
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene with MolForge

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Related Compounds

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CID 15425792
13,22-Dimethoxyoctacyclo[16.8.0.02,7.03,25.06,10.08,17.09,14.021,26]hexacosa-1(26),2(7),3(25),4,6(10),8,11,13,15,17,19,21,23-tridecaene
CID 101092980
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392
12,15-Dimethoxyundecacyclo[36.2.2.22,5.26,9.218,21.222,25.226,29.230,33.234,37.08,13.014,19]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-octacosaene
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5,18-Dimethyl-3,10,13,20-tetrapropoxypentacyclo[10.8.0.02,11.04,9.014,19]icosa-1,3,5,7,9,11,13,15,17,19-decaene
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3,10,13,20-Tetrabutoxy-5,18-dimethylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1,3,5,7,9,11,13,15,17,19-decaene
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CID 153311945

Frequently Asked Questions

What is the IUPAC name of 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The IUPAC name of 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene (CID 132531243) is 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene.
What is the SMILES notation for 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The canonical SMILES for 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene is COc1ccc2c(c1)c1ccc3c4cc(OC)ccc4c4ccc5c6ccc(OC)cc6c6ccc7c8cc(OC)ccc8c8ccc2c2c8c7c6c5c4c3c12.
What is the InChIKey of 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
The InChIKey is YTEQBOWUFNKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O4/c1-53-25-5-9-29-33-13-14-34-30-10-6-27(55-3)23-43(30)39-19-20-40-44-24-28(56-4)8-12-32(44)36-16-15-35-31-11-7-26(54-2)22-42(31)38-18-17-37(41(29)21-25)49-45(33)46(34)51(39)52(40)48(36)47(35)50(38)49/h5-24H,1-4H3.
What are the key properties of 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene?
4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene has a molecular weight of 720.82 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15,24,35-tetramethoxytridecacyclo[36.8.2.02,7.08,45.011,44.012,17.018,43.021,42.022,27.028,41.031,40.032,37.039,46]octatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39(46),40,42,44,47-tetracosaene is sourced from PubChem (CID 132531243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).