12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene

C20H15N — CID 87426054

IUPAC12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene
SMILESC1=CC2=CC=C3N=C4C=CC=CC45C=CC=CC35C2C=C1
InChIInChI=1S/C20H15N/c1-2-8-16-15(7-1)10-11-18-20(16)14-6-5-13-19(20)12-4-3-9-17(19)21-18/h1-14,16H
InChIKeyAPBIGBRZPWHDDC-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.23
Rot. Bonds

About 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene

12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene (PubChem CID 87426054) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene
PubChem CID87426054
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene
SMILESC1=CC2=CC=C3N=C4C=CC=CC45C=CC=CC35C2C=C1
InChIInChI=1S/C20H15N/c1-2-8-16-15(7-1)10-11-18-20(16)14-6-5-13-19(20)12-4-3-9-17(19)21-18/h1-14,16H
InChIKeyAPBIGBRZPWHDDC-UHFFFAOYSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene?
The IUPAC name of 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene (CID 87426054) is 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene.
What is the SMILES notation for 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene?
The canonical SMILES for 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene is C1=CC2=CC=C3N=C4C=CC=CC45C=CC=CC35C2C=C1.
What is the InChIKey of 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene?
The InChIKey is APBIGBRZPWHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-2-8-16-15(7-1)10-11-18-20(16)14-6-5-13-19(20)12-4-3-9-17(19)21-18/h1-14,16H.
What are the key properties of 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene?
12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene has a molecular weight of 269.35 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azapentacyclo[11.8.0.01,6.06,11.016,21]henicosa-2,4,7,9,11,13,15,17,19-nonaene is sourced from PubChem (CID 87426054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).