2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene

C20H13N3 — CID 146328785

IUPAC2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-n2c3nc4ccncc4c-3cc3ccccc32)cc1
InChIInChI=1S/C20H13N3/c1-2-7-15(8-3-1)23-19-9-5-4-6-14(19)12-16-17-13-21-11-10-18(17)22-20(16)23/h1-13H
InChIKeyLWRCGSOKFDTMDV-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.68
Rot. Bonds1

About 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene

2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene (PubChem CID 146328785) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene
PubChem CID146328785
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-n2c3nc4ccncc4c-3cc3ccccc32)cc1
InChIInChI=1S/C20H13N3/c1-2-7-15(8-3-1)23-19-9-5-4-6-14(19)12-16-17-13-21-11-10-18(17)22-20(16)23/h1-13H
InChIKeyLWRCGSOKFDTMDV-UHFFFAOYSA-N
XLogP4.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 134338004
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CID 149133438
2-benzo[c]carbazol-7-yl-5-phenylindolo[2,3-b]quinoline
CID 146328919
5,10-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[g]isoquinoline
CID 59182934
2-(3-methylphenyl)-3-phenylimidazo[4,5-c]pyridine
CID 163782287
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
5-dibenzofuran-2-ylindolo[2,3-b]quinoline
CID 146328886
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961
2-naphtho[1,2-b][1]benzofuran-10-yl-1-phenylimidazo[4,5-c]pyridine
CID 164824950
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene (CID 146328785) is 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene is c1ccc(-n2c3nc4ccncc4c-3cc3ccccc32)cc1.
What is the InChIKey of 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene?
The InChIKey is LWRCGSOKFDTMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c1-2-7-15(8-3-1)23-19-9-5-4-6-14(19)12-16-17-13-21-11-10-18(17)22-20(16)23/h1-13H.
What are the key properties of 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene?
2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene has a molecular weight of 295.35 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 146328785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).