2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene

C19H14N2 — CID 14812683

IUPAC2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
SMILESc1ccc2c(c1)Cc1cc3c(nc1-2)-c1ncccc1CC3
InChIInChI=1S/C19H14N2/c1-2-6-16-13(4-1)10-15-11-14-8-7-12-5-3-9-20-18(12)19(14)21-17(15)16/h1-6,9,11H,7-8,10H2
InChIKeyTVEGGLWHUDAIQZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.81
Rot. Bonds

About 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene

2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene (PubChem CID 14812683) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene.

Molecular Properties

Compound Name2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
PubChem CID14812683
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
SMILESc1ccc2c(c1)Cc1cc3c(nc1-2)-c1ncccc1CC3
InChIInChI=1S/C19H14N2/c1-2-6-16-13(4-1)10-15-11-14-8-7-12-5-3-9-20-18(12)19(14)21-17(15)16/h1-6,9,11H,7-8,10H2
InChIKeyTVEGGLWHUDAIQZ-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene?
The IUPAC name of 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene (CID 14812683) is 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene.
What is the SMILES notation for 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene?
The canonical SMILES for 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene is c1ccc2c(c1)Cc1cc3c(nc1-2)-c1ncccc1CC3.
What is the InChIKey of 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene?
The InChIKey is TVEGGLWHUDAIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-6-16-13(4-1)10-15-11-14-8-7-12-5-3-9-20-18(12)19(14)21-17(15)16/h1-6,9,11H,7-8,10H2.
What are the key properties of 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene?
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene has a molecular weight of 270.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene is sourced from PubChem (CID 14812683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).