17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene

C18H12N2 — CID 88691048

IUPAC17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene
SMILESc1ccc2c(c1)cc1cccn3[nH]c4cccc2c4=c13
InChIInChI=1S/C18H12N2/c1-2-7-14-12(5-1)11-13-6-4-10-20-18(13)17-15(14)8-3-9-16(17)19-20/h1-11,19H
InChIKeyXZEFPXXTYNLKNO-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.30
Rot. Bonds

About 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene

17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene (PubChem CID 88691048) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene.

Molecular Properties

Compound Name17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene
PubChem CID88691048
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene
SMILESc1ccc2c(c1)cc1cccn3[nH]c4cccc2c4=c13
InChIInChI=1S/C18H12N2/c1-2-7-14-12(5-1)11-13-6-4-10-20-18(13)17-15(14)8-3-9-16(17)19-20/h1-11,19H
InChIKeyXZEFPXXTYNLKNO-UHFFFAOYSA-N
XLogP4.30
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene?
The IUPAC name of 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene (CID 88691048) is 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene.
What is the SMILES notation for 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene?
The canonical SMILES for 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene is c1ccc2c(c1)cc1cccn3[nH]c4cccc2c4=c13.
What is the InChIKey of 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene?
The InChIKey is XZEFPXXTYNLKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-2-7-14-12(5-1)11-13-6-4-10-20-18(13)17-15(14)8-3-9-16(17)19-20/h1-11,19H.
What are the key properties of 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene?
17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene has a molecular weight of 256.31 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5,7,9,11,13,15,18-nonaene is sourced from PubChem (CID 88691048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).