19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene

C19H13N — CID 68952162

IUPAC19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene
SMILESC1=CC2=CC3C=CC=C4C3=C(c3ccccc34)N2C=C1
InChIInChI=1S/C19H13N/c1-2-9-17-15(8-1)16-10-5-6-13-12-14-7-3-4-11-20(14)19(17)18(13)16/h1-13H
InChIKeyOGFZTDQYTPLRIW-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.26
Rot. Bonds

About 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene

19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene (PubChem CID 68952162) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene.

Molecular Properties

Compound Name19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene
PubChem CID68952162
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene
SMILESC1=CC2=CC3C=CC=C4C3=C(c3ccccc34)N2C=C1
InChIInChI=1S/C19H13N/c1-2-9-17-15(8-1)16-10-5-6-13-12-14-7-3-4-11-20(14)19(17)18(13)16/h1-13H
InChIKeyOGFZTDQYTPLRIW-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene?
The IUPAC name of 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene (CID 68952162) is 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene.
What is the SMILES notation for 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene?
The canonical SMILES for 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene is C1=CC2=CC3C=CC=C4C3=C(c3ccccc34)N2C=C1.
What is the InChIKey of 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene?
The InChIKey is OGFZTDQYTPLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-2-9-17-15(8-1)16-10-5-6-13-12-14-7-3-4-11-20(14)19(17)18(13)16/h1-13H.
What are the key properties of 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene?
19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene has a molecular weight of 255.32 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,13,15,17-nonaene is sourced from PubChem (CID 68952162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).