5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene

C32H21N3 — CID 149327243

IUPAC5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccn4cc(-c5ccccc5)nc4c23)cc1
InChIInChI=1S/C32H21N3/c1-4-10-22(11-5-1)25-16-17-26-28(20-25)33-31(24-14-8-3-9-15-24)27-18-19-35-21-29(34-32(35)30(26)27)23-12-6-2-7-13-23/h1-21H
InChIKeyYBPUOKUAYNIGEI-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.04
Rot. Bonds3

About 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene

5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene (PubChem CID 149327243) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene.

Molecular Properties

Compound Name5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
PubChem CID149327243
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
SMILESc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccn4cc(-c5ccccc5)nc4c23)cc1
InChIInChI=1S/C32H21N3/c1-4-10-22(11-5-1)25-16-17-26-28(20-25)33-31(24-14-8-3-9-15-24)27-18-19-35-21-29(34-32(35)30(26)27)23-12-6-2-7-13-23/h1-21H
InChIKeyYBPUOKUAYNIGEI-UHFFFAOYSA-N
XLogP8.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene with MolForge

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621767
15-phenyl-9-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621636
9-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621697
15-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621785
14-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 159830716
6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
CID 122665237
9-[4-[4-(1,10-phenanthrolin-5-yl)naphthalen-1-yl]phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621722
6,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,14,16-octaene
CID 149023062
9-[4-(2-ethylbenzimidazol-1-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621771
5-(2,6-diphenylpyrimidin-4-yl)-9,15-diphenyl-14-(3-phenylphenyl)-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
CID 154621787
6-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,15-diphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1,3,5,7,9,11,14,16-octaene
CID 154621778
9,15-diphenyl-14-[4-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621613

Frequently Asked Questions

What is the IUPAC name of 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?
The IUPAC name of 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene (CID 149327243) is 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene.
What is the SMILES notation for 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?
The canonical SMILES for 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene is c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2ccn4cc(-c5ccccc5)nc4c23)cc1.
What is the InChIKey of 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?
The InChIKey is YBPUOKUAYNIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-4-10-22(11-5-1)25-16-17-26-28(20-25)33-31(24-14-8-3-9-15-24)27-18-19-35-21-29(34-32(35)30(26)27)23-12-6-2-7-13-23/h1-21H.
What are the key properties of 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene?
5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene has a molecular weight of 447.54 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene is sourced from PubChem (CID 149327243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).