14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene

C25H15N — CID 145085369

IUPAC14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene
SMILESC1=C=CC2=C(C=1)c1ccccc1C1=CCC=Cc3c1n2c1ccccc31
InChIInChI=1S/C25H15N/c1-2-10-18-17(9-1)19-11-5-7-15-23(19)26-24-16-8-6-12-20(24)22-14-4-3-13-21(18)25(22)26/h1-2,4,6,8-16H,3H2
InChIKeyJLOIWVQLDMDBNN-UHFFFAOYSA-N
MW329.40 g/mol
LogP6.05
Rot. Bonds

About 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene

14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene (PubChem CID 145085369) has the molecular formula C25H15N and a molecular weight of 329.40 g/mol. Its IUPAC name is 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene.

Molecular Properties

Compound Name14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene
PubChem CID145085369
Molecular FormulaC25H15N
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene
SMILESC1=C=CC2=C(C=1)c1ccccc1C1=CCC=Cc3c1n2c1ccccc31
InChIInChI=1S/C25H15N/c1-2-10-18-17(9-1)19-11-5-7-15-23(19)26-24-16-8-6-12-20(24)22-14-4-3-13-21(18)25(22)26/h1-2,4,6,8-16H,3H2
InChIKeyJLOIWVQLDMDBNN-UHFFFAOYSA-N
XLogP6.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene?
The IUPAC name of 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene (CID 145085369) is 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene.
What is the SMILES notation for 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene?
The canonical SMILES for 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene is C1=C=CC2=C(C=1)c1ccccc1C1=CCC=Cc3c1n2c1ccccc31.
What is the InChIKey of 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene?
The InChIKey is JLOIWVQLDMDBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N/c1-2-10-18-17(9-1)19-11-5-7-15-23(19)26-24-16-8-6-12-20(24)22-14-4-3-13-21(18)25(22)26/h1-2,4,6,8-16H,3H2.
What are the key properties of 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene?
14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene has a molecular weight of 329.40 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-azahexacyclo[12.11.1.02,7.08,13.015,20.021,26]hexacosa-1(25),2,4,6,8(13),9,10,11,15,17,19,21(26),22-tridecaene is sourced from PubChem (CID 145085369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).