21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene

C20H13N — CID 20512480

IUPAC21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
SMILESC1=CC2=CC3=c4ccccc4=NC3=C3C=CC=CC23C=C1
InChIInChI=1S/C20H13N/c1-2-10-18-15(8-1)16-13-14-7-3-5-11-20(14)12-6-4-9-17(20)19(16)21-18/h1-13H
InChIKeyCUGNEXJJWSDHTI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.90
Rot. Bonds

About 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene

21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene (PubChem CID 20512480) has the molecular formula C20H13N and a molecular weight of 267.33 g/mol. Its IUPAC name is 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene.

Molecular Properties

Compound Name21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
PubChem CID20512480
Molecular FormulaC20H13N
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene
SMILESC1=CC2=CC3=c4ccccc4=NC3=C3C=CC=CC23C=C1
InChIInChI=1S/C20H13N/c1-2-10-18-15(8-1)16-13-14-7-3-5-11-20(14)12-6-4-9-17(20)19(16)21-18/h1-13H
InChIKeyCUGNEXJJWSDHTI-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene?
The IUPAC name of 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene (CID 20512480) is 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene.
What is the SMILES notation for 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene?
The canonical SMILES for 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene is C1=CC2=CC3=c4ccccc4=NC3=C3C=CC=CC23C=C1.
What is the InChIKey of 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene?
The InChIKey is CUGNEXJJWSDHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N/c1-2-10-18-15(8-1)16-13-14-7-3-5-11-20(14)12-6-4-9-17(20)19(16)21-18/h1-13H.
What are the key properties of 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene?
21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene has a molecular weight of 267.33 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-azapentacyclo[12.7.0.02,7.07,12.015,20]henicosa-1,3,5,8,10,12,14,16,18,20-decaene is sourced from PubChem (CID 20512480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).