dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate

C24H9K2NO6 — CID 165364788

IUPACdipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate
SMILESO=C([O-])c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)[O-])c1c26)c53)C(=O)NC4=O.[K+].[K+]
InChIInChI=1S/C24H11NO6.2K/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10;;/h1-8H,(H,28,29)(H,30,31)(H,25,26,27);;/q;2*+1/p-2
InChIKeyUVMSATIIOLAVOK-UHFFFAOYSA-L
MW485.53 g/mol
LogP-4.64
Rot. Bonds2

About dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate

dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate (PubChem CID 165364788) has the molecular formula C24H9K2NO6 and a molecular weight of 485.53 g/mol. Its IUPAC name is dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate.

Molecular Properties

Compound Namedipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate
PubChem CID165364788
Molecular FormulaC24H9K2NO6
Molecular Weight485.53 g/mol
Exact Mass484.97
IUPAC Namedipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate
SMILESO=C([O-])c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)[O-])c1c26)c53)C(=O)NC4=O.[K+].[K+]
InChIInChI=1S/C24H11NO6.2K/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10;;/h1-8H,(H,28,29)(H,30,31)(H,25,26,27);;/q;2*+1/p-2
InChIKeyUVMSATIIOLAVOK-UHFFFAOYSA-L
XLogP-4.64
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 5-4.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate?
The IUPAC name of dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate (CID 165364788) is dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate.
What is the SMILES notation for dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate?
The canonical SMILES for dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate is O=C([O-])c1ccc2c3ccc4c5c(ccc(c6ccc(C(=O)[O-])c1c26)c53)C(=O)NC4=O.[K+].[K+].
What is the InChIKey of dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate?
The InChIKey is UVMSATIIOLAVOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H11NO6.2K/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10;;/h1-8H,(H,28,29)(H,30,31)(H,25,26,27);;/q;2*+1/p-2.
What are the key properties of dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate?
dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate has a molecular weight of 485.53 g/mol, XLogP of -4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;15,17-dioxo-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2(23),3,5,7,9,11,13,18(22),19-decaene-5,7-dicarboxylate is sourced from PubChem (CID 165364788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).