14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene

C20H14N2 — CID 150471805

IUPAC14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
SMILESc1ccc2c(c1)Nc1c([nH]c3ccccc13)-c1ccccc1-2
InChIInChI=1S/C20H14N2/c1-2-9-15-13(7-1)14-8-3-5-11-17(14)21-20-16-10-4-6-12-18(16)22-19(15)20/h1-12,21-22H
InChIKeyHRYKADBLDMLNGB-UHFFFAOYSA-N
MW282.35 g/mol
LogP5.56
Rot. Bonds

About 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene

14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene (PubChem CID 150471805) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene.

Molecular Properties

Compound Name14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
PubChem CID150471805
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene
SMILESc1ccc2c(c1)Nc1c([nH]c3ccccc13)-c1ccccc1-2
InChIInChI=1S/C20H14N2/c1-2-9-15-13(7-1)14-8-3-5-11-17(14)21-20-16-10-4-6-12-18(16)22-19(15)20/h1-12,21-22H
InChIKeyHRYKADBLDMLNGB-UHFFFAOYSA-N
XLogP5.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The IUPAC name of 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene (CID 150471805) is 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene.
What is the SMILES notation for 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The canonical SMILES for 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene is c1ccc2c(c1)Nc1c([nH]c3ccccc13)-c1ccccc1-2.
What is the InChIKey of 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
The InChIKey is HRYKADBLDMLNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-9-15-13(7-1)14-8-3-5-11-17(14)21-20-16-10-4-6-12-18(16)22-19(15)20/h1-12,21-22H.
What are the key properties of 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene?
14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene has a molecular weight of 282.35 g/mol, XLogP of 5.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-diazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2,4,6,8,10,12,16,18,20-decaene is sourced from PubChem (CID 150471805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).