10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C24Br8O6 — CID 25217417

IUPAC10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1OC(=O)c2c(Br)c(Br)c3c4c(Br)c(Br)c5c6c(c(Br)c(Br)c(c7c(Br)c(Br)c1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C24Br8O6/c25-13-5-1-3-9(17(13)29)21(33)37-22(34)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(35)38-24(36)12(4)20(32)16(8)28
InChIKeyIPUHNSNFJIZANQ-UHFFFAOYSA-N
MW1023.49 g/mol
LogP10.46
Rot. Bonds

About 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 25217417) has the molecular formula C24Br8O6 and a molecular weight of 1023.49 g/mol. Its IUPAC name is 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

Compound Name10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
PubChem CID25217417
Molecular FormulaC24Br8O6
Molecular Weight1023.49 g/mol
Exact Mass1015.32
IUPAC Name10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
SMILESO=C1OC(=O)c2c(Br)c(Br)c3c4c(Br)c(Br)c5c6c(c(Br)c(Br)c(c7c(Br)c(Br)c1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C24Br8O6/c25-13-5-1-3-9(17(13)29)21(33)37-22(34)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(35)38-24(36)12(4)20(32)16(8)28
InChIKeyIPUHNSNFJIZANQ-UHFFFAOYSA-N
XLogP10.46
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.49
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The IUPAC name of 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 25217417) is 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
What is the SMILES notation for 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The canonical SMILES for 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is O=C1OC(=O)c2c(Br)c(Br)c3c4c(Br)c(Br)c5c6c(c(Br)c(Br)c(c7c(Br)c(Br)c1c2c73)c64)C(=O)OC5=O.
What is the InChIKey of 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
The InChIKey is IPUHNSNFJIZANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24Br8O6/c25-13-5-1-3-9(17(13)29)21(33)37-22(34)10(3)18(30)14(26)6(1)8-2-4-11(19(31)15(27)7(2)5)23(35)38-24(36)12(4)20(32)16(8)28.
What are the key properties of 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?
10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 1023.49 g/mol, XLogP of 10.46, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11,14,15,21,22,25,26-octabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 25217417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).