14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C31H19N3O — CID 146390213

IUPAC14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)-c1ccccc1-n1c(nc3ccccc31)N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C31H19N3O/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)34-28-15-7-4-12-25(28)32-31(34)33(26)20-17-18-30-24(19-20)23-11-3-8-16-29(23)35-30/h1-19H
InChIKeyARTVDMFWEPUUBQ-UHFFFAOYSA-N
MW449.51 g/mol
LogP8.38
Rot. Bonds1

About 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 146390213) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
PubChem CID146390213
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESc1ccc2c(c1)-c1ccccc1-n1c(nc3ccccc31)N2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C31H19N3O/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)34-28-15-7-4-12-25(28)32-31(34)33(26)20-17-18-30-24(19-20)23-11-3-8-16-29(23)35-30/h1-19H
InChIKeyARTVDMFWEPUUBQ-UHFFFAOYSA-N
XLogP8.38
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene with MolForge

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Related Compounds

14-triphenylen-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397326
14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 159903997
14-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390362
14-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390368
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
14-[4-(3-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 142397343
14-[3-(4-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[4-(3-fluoranthen-3-ylphenyl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 158487521
17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 146390424
10-[4-[4-dibenzofuran-3-yl-6-[2-(1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaen-14-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-14-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,11,15,17,19,21-decaene
CID 146391312
5-dibenzofuran-2-ylindolo[2,3-b]quinoline
CID 146328886
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665

Frequently Asked Questions

What is the IUPAC name of 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The IUPAC name of 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 146390213) is 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.
What is the SMILES notation for 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The canonical SMILES for 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is c1ccc2c(c1)-c1ccccc1-n1c(nc3ccccc31)N2c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The InChIKey is ARTVDMFWEPUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-5-13-26-21(9-1)22-10-2-6-14-27(22)34-28-15-7-4-12-25(28)32-31(34)33(26)20-17-18-30-24(19-20)23-11-3-8-16-29(23)35-30/h1-19H.
What are the key properties of 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 449.51 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-dibenzofuran-2-yl-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 146390213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).