4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene

C24H12N6 — CID 148547515

IUPAC4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
SMILESc1ccc2cc3cc4cc5nc6nc7nnnnc7cc6cc5cc4cc3cc2c1
InChIInChI=1S/C24H12N6/c1-2-4-14-6-16-8-18-11-21-19(9-17(18)7-15(16)5-13(14)3-1)10-20-12-22-24(26-23(20)25-21)28-30-29-27-22/h1-12H
InChIKeyGFJAYXUMDUMWSN-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.98
Rot. Bonds

About 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene

4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene (PubChem CID 148547515) has the molecular formula C24H12N6 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene.

Molecular Properties

Compound Name4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
PubChem CID148547515
Molecular FormulaC24H12N6
Molecular Weight384.40 g/mol
Exact Mass384.11
IUPAC Name4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
SMILESc1ccc2cc3cc4cc5nc6nc7nnnnc7cc6cc5cc4cc3cc2c1
InChIInChI=1S/C24H12N6/c1-2-4-14-6-16-8-18-11-21-19(9-17(18)7-15(16)5-13(14)3-1)10-20-12-22-24(26-23(20)25-21)28-30-29-27-22/h1-12H
InChIKeyGFJAYXUMDUMWSN-UHFFFAOYSA-N
XLogP4.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene?
The IUPAC name of 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene (CID 148547515) is 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene.
What is the SMILES notation for 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene?
The canonical SMILES for 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene is c1ccc2cc3cc4cc5nc6nc7nnnnc7cc6cc5cc4cc3cc2c1.
What is the InChIKey of 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene?
The InChIKey is GFJAYXUMDUMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N6/c1-2-4-14-6-16-8-18-11-21-19(9-17(18)7-15(16)5-13(14)3-1)10-20-12-22-24(26-23(20)25-21)28-30-29-27-22/h1-12H.
What are the key properties of 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene?
4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene has a molecular weight of 384.40 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,9,10,11-hexazaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene is sourced from PubChem (CID 148547515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).