4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene

C30H20N4 — CID 132514224

IUPAC4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
SMILESc1ccc2cc3[nH]c4cc5cc6[nH]c7cc8ccccc8cc7[nH]c6cc5cc4[nH]c3cc2c1
InChIInChI=1S/C30H20N4/c1-2-6-18-10-24-23(9-17(18)5-1)31-27-13-21-15-29-30(16-22(21)14-28(27)32-24)34-26-12-20-8-4-3-7-19(20)11-25(26)33-29/h1-16,31-34H
InChIKeyUPNQXUXFFSWCDN-UHFFFAOYSA-N
MW436.52 g/mol
LogP8.20
Rot. Bonds

About 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene

4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene (PubChem CID 132514224) has the molecular formula C30H20N4 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene.

Molecular Properties

Compound Name4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
PubChem CID132514224
Molecular FormulaC30H20N4
Molecular Weight436.52 g/mol
Exact Mass436.17
IUPAC Name4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
SMILESc1ccc2cc3[nH]c4cc5cc6[nH]c7cc8ccccc8cc7[nH]c6cc5cc4[nH]c3cc2c1
InChIInChI=1S/C30H20N4/c1-2-6-18-10-24-23(9-17(18)5-1)31-27-13-21-15-29-30(16-22(21)14-28(27)32-24)34-26-12-20-8-4-3-7-19(20)11-25(26)33-29/h1-16,31-34H
InChIKeyUPNQXUXFFSWCDN-UHFFFAOYSA-N
XLogP8.20
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene?
The IUPAC name of 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene (CID 132514224) is 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene.
What is the SMILES notation for 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene?
The canonical SMILES for 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene is c1ccc2cc3[nH]c4cc5cc6[nH]c7cc8ccccc8cc7[nH]c6cc5cc4[nH]c3cc2c1.
What is the InChIKey of 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene?
The InChIKey is UPNQXUXFFSWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4/c1-2-6-18-10-24-23(9-17(18)5-1)31-27-13-21-15-29-30(16-22(21)14-28(27)32-24)34-26-12-20-8-4-3-7-19(20)11-25(26)33-29/h1-16,31-34H.
What are the key properties of 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene?
4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene has a molecular weight of 436.52 g/mol, XLogP of 8.20, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene is sourced from PubChem (CID 132514224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).