10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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

C24Br4Cl4O6 — CID 149175138

IUPAC10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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(Cl)c3c4c(Cl)c(Br)c5c6c(c(Br)c(Cl)c(c7c(Cl)c(Br)c1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C24Br4Cl4O6/c25-13-9-3-1-5(17(13)29)7-2-4-11(15(27)19(7)31)23(35)38-24(36)12(4)16(28)20(32)8(2)6(1)18(30)14(26)10(3)22(34)37-21(9)33
InChIKeyWZVIKVWLKHKVJG-UHFFFAOYSA-N
MW845.69 g/mol
LogP10.02
Rot. Bonds

About 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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

10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 149175138) has the molecular formula C24Br4Cl4O6 and a molecular weight of 845.69 g/mol. Its IUPAC name is 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 Name10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 CID149175138
Molecular FormulaC24Br4Cl4O6
Molecular Weight845.69 g/mol
Exact Mass839.52
IUPAC Name10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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(Cl)c3c4c(Cl)c(Br)c5c6c(c(Br)c(Cl)c(c7c(Cl)c(Br)c1c2c73)c64)C(=O)OC5=O
InChIInChI=1S/C24Br4Cl4O6/c25-13-9-3-1-5(17(13)29)7-2-4-11(15(27)19(7)31)23(35)38-24(36)12(4)16(28)20(32)8(2)6(1)18(30)14(26)10(3)22(34)37-21(9)33
InChIKeyWZVIKVWLKHKVJG-UHFFFAOYSA-N
XLogP10.02
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.69
LogP ≤ 510.02
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 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 149175138) is 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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(Cl)c3c4c(Cl)c(Br)c5c6c(c(Br)c(Cl)c(c7c(Cl)c(Br)c1c2c73)c64)C(=O)OC5=O.
What is the InChIKey of 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 WZVIKVWLKHKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24Br4Cl4O6/c25-13-9-3-1-5(17(13)29)7-2-4-11(15(27)19(7)31)23(35)38-24(36)12(4)16(28)20(32)8(2)6(1)18(30)14(26)10(3)22(34)37-21(9)33.
What are the key properties of 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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?
10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 845.69 g/mol, XLogP of 10.02, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,21,25-tetrabromo-11,14,22,26-tetrachloro-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 149175138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).