3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene

C30H16N4 — CID 154733225

IUPAC3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene
SMILESc1ccc2nc3c(ccc4c3ccc3c5ccccc5c5nc6ccccc6nc5c34)nc2c1
InChIInChI=1S/C30H16N4/c1-2-8-20-17(7-1)18-13-14-21-19(15-16-26-28(21)32-23-10-4-3-9-22(23)31-26)27(18)30-29(20)33-24-11-5-6-12-25(24)34-30/h1-16H
InChIKeyLZAWBYIBQVKMAU-UHFFFAOYSA-N
MW432.49 g/mol
LogP7.34
Rot. Bonds

About 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene

3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene (PubChem CID 154733225) has the molecular formula C30H16N4 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene.

Molecular Properties

Compound Name3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene
PubChem CID154733225
Molecular FormulaC30H16N4
Molecular Weight432.49 g/mol
Exact Mass432.14
IUPAC Name3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene
SMILESc1ccc2nc3c(ccc4c3ccc3c5ccccc5c5nc6ccccc6nc5c34)nc2c1
InChIInChI=1S/C30H16N4/c1-2-8-20-17(7-1)18-13-14-21-19(15-16-26-28(21)32-23-10-4-3-9-22(23)31-26)27(18)30-29(20)33-24-11-5-6-12-25(24)34-30/h1-16H
InChIKeyLZAWBYIBQVKMAU-UHFFFAOYSA-N
XLogP7.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene?
The IUPAC name of 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene (CID 154733225) is 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene.
What is the SMILES notation for 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene?
The canonical SMILES for 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene is c1ccc2nc3c(ccc4c3ccc3c5ccccc5c5nc6ccccc6nc5c34)nc2c1.
What is the InChIKey of 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene?
The InChIKey is LZAWBYIBQVKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4/c1-2-8-20-17(7-1)18-13-14-21-19(15-16-26-28(21)32-23-10-4-3-9-22(23)31-26)27(18)30-29(20)33-24-11-5-6-12-25(24)34-30/h1-16H.
What are the key properties of 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene?
3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene has a molecular weight of 432.49 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,23,30-tetrazaoctacyclo[16.16.0.02,11.04,9.012,17.021,34.022,31.024,29]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21(34),22,24,26,28,30,32-heptadecaene is sourced from PubChem (CID 154733225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).