7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene

C25H14N4 — CID 174155458

IUPAC7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene
SMILESc1cnc2c(c1)ccc1ncc3ccc4c(c3c12)Cc1cccc2ncnc-4c12
InChIInChI=1S/C25H14N4/c1-3-15-11-18-17(25-22(15)19(5-1)28-13-29-25)8-6-16-12-27-20-9-7-14-4-2-10-26-24(14)23(20)21(16)18/h1-10,12-13H,11H2
InChIKeyXGBCVUHHIWJUMC-UHFFFAOYSA-N
MW370.42 g/mol
LogP5.45
Rot. Bonds

About 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene

7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene (PubChem CID 174155458) has the molecular formula C25H14N4 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene.

Molecular Properties

Compound Name7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene
PubChem CID174155458
Molecular FormulaC25H14N4
Molecular Weight370.42 g/mol
Exact Mass370.12
IUPAC Name7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene
SMILESc1cnc2c(c1)ccc1ncc3ccc4c(c3c12)Cc1cccc2ncnc-4c12
InChIInChI=1S/C25H14N4/c1-3-15-11-18-17(25-22(15)19(5-1)28-13-29-25)8-6-16-12-27-20-9-7-14-4-2-10-26-24(14)23(20)21(16)18/h1-10,12-13H,11H2
InChIKeyXGBCVUHHIWJUMC-UHFFFAOYSA-N
XLogP5.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene?
The IUPAC name of 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene (CID 174155458) is 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene.
What is the SMILES notation for 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene?
The canonical SMILES for 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene is c1cnc2c(c1)ccc1ncc3ccc4c(c3c12)Cc1cccc2ncnc-4c12.
What is the InChIKey of 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene?
The InChIKey is XGBCVUHHIWJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14N4/c1-3-15-11-18-17(25-22(15)19(5-1)28-13-29-25)8-6-16-12-27-20-9-7-14-4-2-10-26-24(14)23(20)21(16)18/h1-10,12-13H,11H2.
What are the key properties of 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene?
7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene has a molecular weight of 370.42 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15,26,28-tetrazaheptacyclo[19.7.1.02,19.05,18.08,17.011,16.025,29]nonacosa-1(28),2(19),3,5,7,9,11(16),12,14,17,21(29),22,24,26-tetradecaene is sourced from PubChem (CID 174155458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).