14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene

C23H17N3 — CID 146189960

IUPAC14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene
SMILESc1ccc(-n2c3c(c4ccccc42)-c2c([nH]c4cnccc24)CC3)cc1
InChIInChI=1S/C23H17N3/c1-2-6-15(7-3-1)26-20-9-5-4-8-17(20)23-21(26)11-10-18-22(23)16-12-13-24-14-19(16)25-18/h1-9,12-14,25H,10-11H2
InChIKeyBXAAWBXQMZVAHT-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.27
Rot. Bonds1

About 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene

14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene (PubChem CID 146189960) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene.

Molecular Properties

Compound Name14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene
PubChem CID146189960
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene
SMILESc1ccc(-n2c3c(c4ccccc42)-c2c([nH]c4cnccc24)CC3)cc1
InChIInChI=1S/C23H17N3/c1-2-6-15(7-3-1)26-20-9-5-4-8-17(20)23-21(26)11-10-18-22(23)16-12-13-24-14-19(16)25-18/h1-9,12-14,25H,10-11H2
InChIKeyBXAAWBXQMZVAHT-UHFFFAOYSA-N
XLogP5.27
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene with MolForge

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Related Compounds

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CID 139575264
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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene?
The IUPAC name of 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene (CID 146189960) is 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene.
What is the SMILES notation for 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene?
The canonical SMILES for 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene is c1ccc(-n2c3c(c4ccccc42)-c2c([nH]c4cnccc24)CC3)cc1.
What is the InChIKey of 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene?
The InChIKey is BXAAWBXQMZVAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-2-6-15(7-3-1)26-20-9-5-4-8-17(20)23-21(26)11-10-18-22(23)16-12-13-24-14-19(16)25-18/h1-9,12-14,25H,10-11H2.
What are the key properties of 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene?
14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene has a molecular weight of 335.41 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-6,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,15,17,19-octaene is sourced from PubChem (CID 146189960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).