8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene

C19H13N3 — CID 118363229

IUPAC8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc2c(c1)Nc1ccccc1-n1c-2nc2ccccc21
InChIInChI=1S/C19H13N3/c1-2-8-14-13(7-1)19-21-16-10-4-6-12-18(16)22(19)17-11-5-3-9-15(17)20-14/h1-12,20H
InChIKeyJSQFRAZSIKWXOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.75
Rot. Bonds

About 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene

8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 118363229) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

Compound Name8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
PubChem CID118363229
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene
SMILESc1ccc2c(c1)Nc1ccccc1-n1c-2nc2ccccc21
InChIInChI=1S/C19H13N3/c1-2-8-14-13(7-1)19-21-16-10-4-6-12-18(16)22(19)17-11-5-3-9-15(17)20-14/h1-12,20H
InChIKeyJSQFRAZSIKWXOG-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene with MolForge

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Related Compounds

8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
CID 162503288
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
8-phenyl-9-oxa-16,23-diaza-8-borapentacyclo[14.7.0.02,7.010,15.017,22]tricosa-1(23),2,4,6,10,12,14,17,19,21-decaene
CID 176803347
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931

Frequently Asked Questions

What is the IUPAC name of 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene?
The IUPAC name of 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene (CID 118363229) is 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene.
What is the SMILES notation for 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene?
The canonical SMILES for 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene is c1ccc2c(c1)Nc1ccccc1-n1c-2nc2ccccc21.
What is the InChIKey of 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene?
The InChIKey is JSQFRAZSIKWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-8-14-13(7-1)19-21-16-10-4-6-12-18(16)22(19)17-11-5-3-9-15(17)20-14/h1-12,20H.
What are the key properties of 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene?
8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 283.33 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 118363229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).