14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione

C36H26N4O2 — CID 59217384

IUPAC14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione
SMILESCCn1c2ccccc2c2cc3[nH]c4cc5c(=O)c6cc7c(cc6[nH]c5cc4c(=O)c3cc21)c1ccccc1n7CC
InChIInChI=1S/C36H26N4O2/c1-3-39-31-11-7-5-9-19(31)21-13-27-25(17-33(21)39)35(41)23-15-30-24(16-29(23)37-27)36(42)26-18-34-22(14-28(26)38-30)20-10-6-8-12-32(20)40(34)4-2/h5-18H,3-4H2,1-2H3,(H,37,41)(H,38,42)
InChIKeyOBIXHDPCNNJITM-UHFFFAOYSA-N
MW546.63 g/mol
LogP7.93
Rot. Bonds2

About 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione

14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione (PubChem CID 59217384) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione.

Molecular Properties

Compound Name14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione
PubChem CID59217384
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione
SMILESCCn1c2ccccc2c2cc3[nH]c4cc5c(=O)c6cc7c(cc6[nH]c5cc4c(=O)c3cc21)c1ccccc1n7CC
InChIInChI=1S/C36H26N4O2/c1-3-39-31-11-7-5-9-19(31)21-13-27-25(17-33(21)39)35(41)23-15-30-24(16-29(23)37-27)36(42)26-18-34-22(14-28(26)38-30)20-10-6-8-12-32(20)40(34)4-2/h5-18H,3-4H2,1-2H3,(H,37,41)(H,38,42)
InChIKeyOBIXHDPCNNJITM-UHFFFAOYSA-N
XLogP7.93
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione?
The IUPAC name of 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione (CID 59217384) is 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione.
What is the SMILES notation for 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione?
The canonical SMILES for 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione is CCn1c2ccccc2c2cc3[nH]c4cc5c(=O)c6cc7c(cc6[nH]c5cc4c(=O)c3cc21)c1ccccc1n7CC.
What is the InChIKey of 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione?
The InChIKey is OBIXHDPCNNJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c1-3-39-31-11-7-5-9-19(31)21-13-27-25(17-33(21)39)35(41)23-15-30-24(16-29(23)37-27)36(42)26-18-34-22(14-28(26)38-30)20-10-6-8-12-32(20)40(34)4-2/h5-18H,3-4H2,1-2H3,(H,37,41)(H,38,42).
What are the key properties of 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione?
14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione has a molecular weight of 546.63 g/mol, XLogP of 7.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,32-diethyl-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3(19),5(17),6,8,10,12,15,20,23(35),24,26,28,30,33-pentadecaene-18,36-dione is sourced from PubChem (CID 59217384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).