4,15,24,35-tetramethyltridecacyclo[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

C52H32 — CID 132531242

IUPAC4,15,24,35-tetramethyltridecacyclo[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
SMILESCc1ccc2c(c1)c1ccc3c4cc(C)ccc4c4ccc5c6ccc(C)cc6c6ccc7c8cc(C)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C52H32/c1-25-5-9-29-33-13-14-34-30-10-6-27(3)23-43(30)39-19-20-40-44-24-28(4)8-12-32(44)36-16-15-35-31-11-7-26(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
InChIKeyKIXDXYHOJSZHLX-UHFFFAOYSA-N
MW656.83 g/mol
LogP15.07
Rot. Bonds

About 4,15,24,35-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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 132531242) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 4,15,24,35-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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 CID132531242
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name4,15,24,35-tetramethyltridecacyclo[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
SMILESCc1ccc2c(c1)c1ccc3c4cc(C)ccc4c4ccc5c6ccc(C)cc6c6ccc7c8cc(C)ccc8c8ccc2c2c8c7c6c5c4c3c12
InChIInChI=1S/C52H32/c1-25-5-9-29-33-13-14-34-30-10-6-27(3)23-43(30)39-19-20-40-44-24-28(4)8-12-32(44)36-16-15-35-31-11-7-26(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
InChIKeyKIXDXYHOJSZHLX-UHFFFAOYSA-N
XLogP15.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,15,24,35-tetramethyltridecacyclo[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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Frequently Asked Questions

What is the IUPAC name of 4,15,24,35-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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 132531242) is 4,15,24,35-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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 Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4c4ccc5c6ccc(C)cc6c6ccc7c8cc(C)ccc8c8ccc2c2c8c7c6c5c4c3c12.
What is the InChIKey of 4,15,24,35-tetramethyltridecacyclo[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 KIXDXYHOJSZHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-25-5-9-29-33-13-14-34-30-10-6-27(3)23-43(30)39-19-20-40-44-24-28(4)8-12-32(44)36-16-15-35-31-11-7-26(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-tetramethyltridecacyclo[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-tetramethyltridecacyclo[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 656.83 g/mol, XLogP of 15.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15,24,35-tetramethyltridecacyclo[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 132531242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).