19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione

C34H18N4O4 — CID 166711571

IUPAC19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(O)N(c1ccncc1)C5=O
InChIInChI=1S/C34H18N4O4/c39-31-23-5-1-19-20-2-6-25-30-26(34(42)38(33(25)41)18-11-15-36-16-12-18)8-4-22(28(20)30)21-3-7-24(29(23)27(19)21)32(40)37(31)17-9-13-35-14-10-17/h1-16,31,39H
InChIKeyJQZPTGNKLLFKFD-UHFFFAOYSA-N
MW546.54 g/mol
LogP5.98
Rot. Bonds2

About 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione

19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione (PubChem CID 166711571) has the molecular formula C34H18N4O4 and a molecular weight of 546.54 g/mol. Its IUPAC name is 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione.

Molecular Properties

Compound Name19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione
PubChem CID166711571
Molecular FormulaC34H18N4O4
Molecular Weight546.54 g/mol
Exact Mass546.13
IUPAC Name19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione
SMILESO=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(O)N(c1ccncc1)C5=O
InChIInChI=1S/C34H18N4O4/c39-31-23-5-1-19-20-2-6-25-30-26(34(42)38(33(25)41)18-11-15-36-16-12-18)8-4-22(28(20)30)21-3-7-24(29(23)27(19)21)32(40)37(31)17-9-13-35-14-10-17/h1-16,31,39H
InChIKeyJQZPTGNKLLFKFD-UHFFFAOYSA-N
XLogP5.98
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.54
LogP ≤ 55.98
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 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione?
The IUPAC name of 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione (CID 166711571) is 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione.
What is the SMILES notation for 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione?
The canonical SMILES for 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione is O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccncc1)c64)C(O)N(c1ccncc1)C5=O.
What is the InChIKey of 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione?
The InChIKey is JQZPTGNKLLFKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N4O4/c39-31-23-5-1-19-20-2-6-25-30-26(34(42)38(33(25)41)18-11-15-36-16-12-18)8-4-22(28(20)30)21-3-7-24(29(23)27(19)21)32(40)37(31)17-9-13-35-14-10-17/h1-16,31,39H.
What are the key properties of 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione?
19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione has a molecular weight of 546.54 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[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-trione is sourced from PubChem (CID 166711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).