9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene

C18H12N2 — CID 137235442

IUPAC9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene
SMILESC1=Cc2c([nH]c3ccc4c(c23)=c2ccccc2=N4)=CC1
InChIInChI=1S/C18H12N2/c1-3-7-13-11(5-1)17-15(19-13)9-10-16-18(17)12-6-2-4-8-14(12)20-16/h1-3,5-10,20H,4H2
InChIKeySSTBQVQGPJNIIY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.92
Rot. Bonds

About 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene

9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene (PubChem CID 137235442) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene.

Molecular Properties

Compound Name9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene
PubChem CID137235442
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene
SMILESC1=Cc2c([nH]c3ccc4c(c23)=c2ccccc2=N4)=CC1
InChIInChI=1S/C18H12N2/c1-3-7-13-11(5-1)17-15(19-13)9-10-16-18(17)12-6-2-4-8-14(12)20-16/h1-3,5-10,20H,4H2
InChIKeySSTBQVQGPJNIIY-UHFFFAOYSA-N
XLogP2.92
TPSA28.15 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene?
The IUPAC name of 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene (CID 137235442) is 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene.
What is the SMILES notation for 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene?
The canonical SMILES for 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene is C1=Cc2c([nH]c3ccc4c(c23)=c2ccccc2=N4)=CC1.
What is the InChIKey of 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene?
The InChIKey is SSTBQVQGPJNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-3-7-13-11(5-1)17-15(19-13)9-10-16-18(17)12-6-2-4-8-14(12)20-16/h1-3,5-10,20H,4H2.
What are the key properties of 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene?
9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene has a molecular weight of 256.31 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(20),2,4,6,8,10,12,15,18-nonaene is sourced from PubChem (CID 137235442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).