11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene

C36H24O4 — CID 73054883

IUPAC11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene
SMILESCOc1c(OC)c2ccc3c4ccc5c(OC)c(OC)c6cccc7cc(c8cc9cccc1c9c2c38)c4c5c76
InChIInChI=1S/C36H24O4/c1-37-33-21-9-5-7-17-15-25-26-16-18-8-6-10-22-28(18)32-24(36(40-4)34(22)38-2)14-12-20(30(26)32)19-11-13-23(35(33)39-3)31(27(17)21)29(19)25/h5-16H,1-4H3
InChIKeySALHRYDZFGMIOW-UHFFFAOYSA-N
MW520.58 g/mol
LogP9.26
Rot. Bonds4

About 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene

11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene (PubChem CID 73054883) has the molecular formula C36H24O4 and a molecular weight of 520.58 g/mol. Its IUPAC name is 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene.

Molecular Properties

Compound Name11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene
PubChem CID73054883
Molecular FormulaC36H24O4
Molecular Weight520.58 g/mol
Exact Mass520.17
IUPAC Name11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene
SMILESCOc1c(OC)c2ccc3c4ccc5c(OC)c(OC)c6cccc7cc(c8cc9cccc1c9c2c38)c4c5c76
InChIInChI=1S/C36H24O4/c1-37-33-21-9-5-7-17-15-25-26-16-18-8-6-10-22-28(18)32-24(36(40-4)34(22)38-2)14-12-20(30(26)32)19-11-13-23(35(33)39-3)31(27(17)21)29(19)25/h5-16H,1-4H3
InChIKeySALHRYDZFGMIOW-UHFFFAOYSA-N
XLogP9.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene with MolForge

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Related Compounds

9,10-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 122366804
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
undecacyclo[15.15.0.02,14.03,31.04,12.05,29.06,11.07,27.020,32.022,30.023,28]dotriaconta-1(17),2,4(12),5,7(27),8,10,13,15,18,20,22(30),23,25,28,31-hexadecaene
CID 11112057
undecacyclo[19.17.1.12,16.13,7.126,34.08,13.025,39.028,33.015,42.020,41.038,40]dotetraconta-1(39),2(41),3,5,7(42),8,10,12,14,16,18,20,22,24,26,28,30,32,34(40),35,37-henicosaene
CID 101161805
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
nonacyclo[17.11.1.14,8.02,17.03,14.05,30.020,25.027,31.012,32]dotriaconta-1(30),2(17),3(14),4,6,8(32),9,11,15,18,20,22,24,27(31),28-pentadecaene-13,26-dione
CID 4616247
1-methoxy-2-(4-methoxyphenyl)pyrene
CID 174574739
octacyclo[19.7.1.114,18.02,19.04,17.07,16.010,15.025,29]triaconta-1(28),2,4(17),5,7(16),8,10(15),11,13,18(30),19,21,23,25(29),26-pentadecaene
CID 21087928
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537

Frequently Asked Questions

What is the IUPAC name of 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene?
The IUPAC name of 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene (CID 73054883) is 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene.
What is the SMILES notation for 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene?
The canonical SMILES for 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene is COc1c(OC)c2ccc3c4ccc5c(OC)c(OC)c6cccc7cc(c8cc9cccc1c9c2c38)c4c5c76.
What is the InChIKey of 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene?
The InChIKey is SALHRYDZFGMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O4/c1-37-33-21-9-5-7-17-15-25-26-16-18-8-6-10-22-28(18)32-24(36(40-4)34(22)38-2)14-12-20(30(26)32)19-11-13-23(35(33)39-3)31(27(17)21)29(19)25/h5-16H,1-4H3.
What are the key properties of 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene?
11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene has a molecular weight of 520.58 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12,21,22-tetramethoxynonacyclo[25.3.1.12,6.03,16.04,13.05,10.017,30.020,29.023,28]dotriaconta-1(31),2(32),3(16),4(13),5,7,9,11,14,17(30),18,20(29),21,23,25,27-hexadecaene is sourced from PubChem (CID 73054883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).