2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene

C17H12N2 — CID 57027291

IUPAC2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESC1=C2C=C3C=C(C2)N2C=c4ccccc4=NC2=C1C3
InChIInChI=1S/C17H12N2/c1-2-4-16-13(3-1)10-19-15-8-11-5-12(9-15)7-14(6-11)17(19)18-16/h1-6,9-10H,7-8H2
InChIKeyPIYCTTQYFGYYDV-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.13
Rot. Bonds

About 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene

2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene (PubChem CID 57027291) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene
PubChem CID57027291
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene
SMILESC1=C2C=C3C=C(C2)N2C=c4ccccc4=NC2=C1C3
InChIInChI=1S/C17H12N2/c1-2-4-16-13(3-1)10-19-15-8-11-5-12(9-15)7-14(6-11)17(19)18-16/h1-6,9-10H,7-8H2
InChIKeyPIYCTTQYFGYYDV-UHFFFAOYSA-N
XLogP2.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene?
The IUPAC name of 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene (CID 57027291) is 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene?
The canonical SMILES for 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene is C1=C2C=C3C=C(C2)N2C=c4ccccc4=NC2=C1C3.
What is the InChIKey of 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene?
The InChIKey is PIYCTTQYFGYYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-4-16-13(3-1)10-19-15-8-11-5-12(9-15)7-14(6-11)17(19)18-16/h1-6,9-10H,7-8H2.
What are the key properties of 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene?
2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene has a molecular weight of 244.30 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-1(17),3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 57027291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).