10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene

C18H13N — CID 54031191

IUPAC10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene
SMILESC1=CC=CC2=c3ccc4c(c3N=C2C=C1)CC=CC=4
InChIInChI=1S/C18H13N/c1-2-4-10-17-15(9-3-1)16-12-11-13-7-5-6-8-14(13)18(16)19-17/h1-7,9-12H,8H2
InChIKeyLFSIZNFMUXMXAF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.50
Rot. Bonds

About 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene

10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene (PubChem CID 54031191) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene
PubChem CID54031191
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene
SMILESC1=CC=CC2=c3ccc4c(c3N=C2C=C1)CC=CC=4
InChIInChI=1S/C18H13N/c1-2-4-10-17-15(9-3-1)16-12-11-13-7-5-6-8-14(13)18(16)19-17/h1-7,9-12H,8H2
InChIKeyLFSIZNFMUXMXAF-UHFFFAOYSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene?
The IUPAC name of 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene (CID 54031191) is 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene.
What is the SMILES notation for 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene?
The canonical SMILES for 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene is C1=CC=CC2=c3ccc4c(c3N=C2C=C1)CC=CC=4.
What is the InChIKey of 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene?
The InChIKey is LFSIZNFMUXMXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-2-4-10-17-15(9-3-1)16-12-11-13-7-5-6-8-14(13)18(16)19-17/h1-7,9-12H,8H2.
What are the key properties of 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene?
10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene has a molecular weight of 243.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatetracyclo[9.8.0.02,9.012,17]nonadeca-1,3,5,7,9,11,14,16,18-nonaene is sourced from PubChem (CID 54031191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).