hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione

C144H72O12 — CID 159102283

IUPAChexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione
SMILESO=c1c2ccccc2c2cc3c(cc12)c(=O)c1c2ccccc2ccc31.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1cc2ccccc2cc13.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1ccc2ccccc2c13.O=c1c2ccccc2c2ccc3c(c(=O)c4ccc5ccccc5c43)c12.O=c1c2ccccc2c2ccc3c4cc5ccccc5cc4c(=O)c3c12.O=c1c2ccccc2c2ccc3c4ccc5ccccc5c4c(=O)c3c12
InChIInChI=1S/6C24H12O2/c25-23-16-8-4-3-7-15(16)18-11-19-17-9-13-5-1-2-6-14(13)10-20(17)24(26)22(19)12-21(18)23;25-23-18-8-4-3-7-15(18)16-9-10-17-19-11-13-5-1-2-6-14(13)12-20(19)24(26)22(17)21(16)23;25-23-17-8-4-3-7-15(17)18-11-19-16-10-9-13-5-1-2-6-14(13)22(16)24(26)21(19)12-20(18)23;25-23-16-8-4-3-7-15(16)18-11-19-21(12-20(18)23)24(26)17-10-9-13-5-1-2-6-14(13)22(17)19;25-23-19-8-4-3-7-15(19)16-11-12-18-17-10-9-13-5-1-2-6-14(13)20(17)24(26)22(18)21(16)23;25-23-17-8-4-3-7-15(17)16-11-12-18-20-14-6-2-1-5-13(14)9-10-19(20)24(26)22(18)21(16)23/h6*1-12H
InChIKeyKDLAEYJGYSLVIM-UHFFFAOYSA-N
MW1994.15 g/mol
LogP30.29
Rot. Bonds

About hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione

hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione (PubChem CID 159102283) has the molecular formula C144H72O12 and a molecular weight of 1994.15 g/mol. Its IUPAC name is hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione.

Molecular Properties

Compound Namehexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione
PubChem CID159102283
Molecular FormulaC144H72O12
Molecular Weight1994.15 g/mol
Exact Mass1992.50
IUPAC Namehexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione
SMILESO=c1c2ccccc2c2cc3c(cc12)c(=O)c1c2ccccc2ccc31.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1cc2ccccc2cc13.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1ccc2ccccc2c13.O=c1c2ccccc2c2ccc3c(c(=O)c4ccc5ccccc5c43)c12.O=c1c2ccccc2c2ccc3c4cc5ccccc5cc4c(=O)c3c12.O=c1c2ccccc2c2ccc3c4ccc5ccccc5c4c(=O)c3c12
InChIInChI=1S/6C24H12O2/c25-23-16-8-4-3-7-15(16)18-11-19-17-9-13-5-1-2-6-14(13)10-20(17)24(26)22(19)12-21(18)23;25-23-18-8-4-3-7-15(18)16-9-10-17-19-11-13-5-1-2-6-14(13)12-20(19)24(26)22(17)21(16)23;25-23-17-8-4-3-7-15(17)18-11-19-16-10-9-13-5-1-2-6-14(13)22(16)24(26)21(19)12-20(18)23;25-23-16-8-4-3-7-15(16)18-11-19-21(12-20(18)23)24(26)17-10-9-13-5-1-2-6-14(13)22(17)19;25-23-19-8-4-3-7-15(19)16-11-12-18-17-10-9-13-5-1-2-6-14(13)20(17)24(26)22(18)21(16)23;25-23-17-8-4-3-7-15(17)16-11-12-18-20-14-6-2-1-5-13(14)9-10-19(20)24(26)22(18)21(16)23/h6*1-12H
InChIKeyKDLAEYJGYSLVIM-UHFFFAOYSA-N
XLogP30.29
TPSA204.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001994.15
LogP ≤ 530.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione?
The IUPAC name of hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione (CID 159102283) is hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione.
What is the SMILES notation for hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione?
The canonical SMILES for hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione is O=c1c2ccccc2c2cc3c(cc12)c(=O)c1c2ccccc2ccc31.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1cc2ccccc2cc13.O=c1c2ccccc2c2cc3c(cc12)c(=O)c1ccc2ccccc2c13.O=c1c2ccccc2c2ccc3c(c(=O)c4ccc5ccccc5c43)c12.O=c1c2ccccc2c2ccc3c4cc5ccccc5cc4c(=O)c3c12.O=c1c2ccccc2c2ccc3c4ccc5ccccc5c4c(=O)c3c12.
What is the InChIKey of hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione?
The InChIKey is KDLAEYJGYSLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C24H12O2/c25-23-16-8-4-3-7-15(16)18-11-19-17-9-13-5-1-2-6-14(13)10-20(17)24(26)22(19)12-21(18)23;25-23-18-8-4-3-7-15(18)16-9-10-17-19-11-13-5-1-2-6-14(13)12-20(19)24(26)22(17)21(16)23;25-23-17-8-4-3-7-15(17)18-11-19-16-10-9-13-5-1-2-6-14(13)22(16)24(26)21(19)12-20(18)23;25-23-16-8-4-3-7-15(16)18-11-19-21(12-20(18)23)24(26)17-10-9-13-5-1-2-6-14(13)22(17)19;25-23-19-8-4-3-7-15(19)16-11-12-18-17-10-9-13-5-1-2-6-14(13)20(17)24(26)22(18)21(16)23;25-23-17-8-4-3-7-15(17)16-11-12-18-20-14-6-2-1-5-13(14)9-10-19(20)24(26)22(18)21(16)23/h6*1-12H.
What are the key properties of hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione?
hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione has a molecular weight of 1994.15 g/mol, XLogP of 30.29, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene-3,24-dione;hexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene-3,24-dione;hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene-12,15-dione;hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene-12,16-dione;hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene-12,16-dione is sourced from PubChem (CID 159102283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).