nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone

C52H32O4 — CID 177494118

IUPACnonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone
SMILESO=C1c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C52H32O4/c53-49-41-17-1-33(2-18-41)34-3-19-43(20-4-34)50(54)44-23-7-37(8-24-44)38-11-27-47(28-12-38)52(56)48-31-15-40(16-32-48)39-13-29-46(30-14-39)51(55)45-25-9-36(10-26-45)35-5-21-42(49)22-6-35/h1-32H
InChIKeyHORATNMDBSUSTO-UHFFFAOYSA-N
MW720.82 g/mol
LogP11.59
Rot. Bonds

About nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone

nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone (PubChem CID 177494118) has the molecular formula C52H32O4 and a molecular weight of 720.82 g/mol. Its IUPAC name is nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone.

Molecular Properties

Compound Namenonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone
PubChem CID177494118
Molecular FormulaC52H32O4
Molecular Weight720.82 g/mol
Exact Mass720.23
IUPAC Namenonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone
SMILESO=C1c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc1cc2
InChIInChI=1S/C52H32O4/c53-49-41-17-1-33(2-18-41)34-3-19-43(20-4-34)50(54)44-23-7-37(8-24-44)38-11-27-47(28-12-38)52(56)48-31-15-40(16-32-48)39-13-29-46(30-14-39)51(55)45-25-9-36(10-26-45)35-5-21-42(49)22-6-35/h1-32H
InChIKeyHORATNMDBSUSTO-UHFFFAOYSA-N
XLogP11.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.82
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone?
The IUPAC name of nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone (CID 177494118) is nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone.
What is the SMILES notation for nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone?
The canonical SMILES for nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone is O=C1c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc(cc2)C(=O)c2ccc(cc2)-c2ccc1cc2.
What is the InChIKey of nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone?
The InChIKey is HORATNMDBSUSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O4/c53-49-41-17-1-33(2-18-41)34-3-19-43(20-4-34)50(54)44-23-7-37(8-24-44)38-11-27-47(28-12-38)52(56)48-31-15-40(16-32-48)39-13-29-46(30-14-39)51(55)45-25-9-36(10-26-45)35-5-21-42(49)22-6-35/h1-32H.
What are the key properties of nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone?
nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone has a molecular weight of 720.82 g/mol, XLogP of 11.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone is sourced from PubChem (CID 177494118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).