2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene

C18H12N2 — CID 11032495

IUPAC2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Cc1nc3c(nc1-2)Cc1ccccc1-3
InChIInChI=1S/C18H12N2/c1-3-7-13-11(5-1)9-15-17(13)20-16-10-12-6-2-4-8-14(12)18(16)19-15/h1-8H,9-10H2
InChIKeyNSNLHLDWXDKPAY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.62
Rot. Bonds

About 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene

2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene (PubChem CID 11032495) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
PubChem CID11032495
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Cc1nc3c(nc1-2)Cc1ccccc1-3
InChIInChI=1S/C18H12N2/c1-3-7-13-11(5-1)9-15-17(13)20-16-10-12-6-2-4-8-14(12)18(16)19-15/h1-8H,9-10H2
InChIKeyNSNLHLDWXDKPAY-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene with MolForge

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Related Compounds

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CID 155523332
5-(Dicyanomethylene)indeno[2,3-b]pyrazine-2,3-dicarbonitrile
CID 948444
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CID 155542902
3-Methyl-1-phenyl-9H-indeno[2,1-c]pyridine
CID 620897
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CID 12943653

Frequently Asked Questions

What is the IUPAC name of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene?
The IUPAC name of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene (CID 11032495) is 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene.
What is the SMILES notation for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene?
The canonical SMILES for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene is c1ccc2c(c1)Cc1nc3c(nc1-2)Cc1ccccc1-3.
What is the InChIKey of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene?
The InChIKey is NSNLHLDWXDKPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-3-7-13-11(5-1)9-15-17(13)20-16-10-12-6-2-4-8-14(12)18(16)19-15/h1-8H,9-10H2.
What are the key properties of 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene?
2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene has a molecular weight of 256.31 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 11032495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).