6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione

C30H20N4O2 — CID 146510594

IUPAC6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
SMILESCc1cc2nc3c4ccc5c(=O)n6c7cc(C)c(C)cc7nc6c6ccc(c(=O)n3c2cc1C)c4c56
InChIInChI=1S/C30H20N4O2/c1-13-9-21-23(11-15(13)3)33-27(31-21)17-5-7-20-26-18(6-8-19(25(17)26)29(33)35)28-32-22-10-14(2)16(4)12-24(22)34(28)30(20)36/h5-12H,1-4H3
InChIKeyQYVZWUBHRZFJPV-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.58
Rot. Bonds

About 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione

6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione (PubChem CID 146510594) has the molecular formula C30H20N4O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione.

Molecular Properties

Compound Name6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
PubChem CID146510594
Molecular FormulaC30H20N4O2
Molecular Weight468.52 g/mol
Exact Mass468.16
IUPAC Name6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione
SMILESCc1cc2nc3c4ccc5c(=O)n6c7cc(C)c(C)cc7nc6c6ccc(c(=O)n3c2cc1C)c4c56
InChIInChI=1S/C30H20N4O2/c1-13-9-21-23(11-15(13)3)33-27(31-21)17-5-7-20-26-18(6-8-19(25(17)26)29(33)35)28-32-22-10-14(2)16(4)12-24(22)34(28)30(20)36/h5-12H,1-4H3
InChIKeyQYVZWUBHRZFJPV-UHFFFAOYSA-N
XLogP5.58
TPSA68.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The IUPAC name of 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione (CID 146510594) is 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione.
What is the SMILES notation for 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The canonical SMILES for 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione is Cc1cc2nc3c4ccc5c(=O)n6c7cc(C)c(C)cc7nc6c6ccc(c(=O)n3c2cc1C)c4c56.
What is the InChIKey of 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
The InChIKey is QYVZWUBHRZFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O2/c1-13-9-21-23(11-15(13)3)33-27(31-21)17-5-7-20-26-18(6-8-19(25(17)26)29(33)35)28-32-22-10-14(2)16(4)12-24(22)34(28)30(20)36/h5-12H,1-4H3.
What are the key properties of 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione?
6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione has a molecular weight of 468.52 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,20,21-tetramethyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4(9),5,7,12,14,16,18(23),19,21,26(30),27-tridecaene-11,25-dione is sourced from PubChem (CID 146510594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).