15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C42H26N4OS — CID 166800277

IUPAC15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cnc(-c4cccc5sc6ccccc6c45)c4oc5cc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C42H26N4OS/c1-3-12-25(13-4-1)40-44-41(26-14-5-2-6-15-26)46-42(45-40)32-24-43-38(30-19-11-21-35-36(30)29-18-9-10-20-34(29)48-35)39-37(32)31-22-27-16-7-8-17-28(27)23-33(31)47-39/h1-24,40H,(H,44,45,46)
InChIKeyUAPSTTDGYRQXLJ-UHFFFAOYSA-N
MW634.76 g/mol
LogP10.66
Rot. Bonds4

About 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 166800277) has the molecular formula C42H26N4OS and a molecular weight of 634.76 g/mol. Its IUPAC name is 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID166800277
Molecular FormulaC42H26N4OS
Molecular Weight634.76 g/mol
Exact Mass634.18
IUPAC Name15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cnc(-c4cccc5sc6ccccc6c45)c4oc5cc6ccccc6cc5c34)=N2)cc1
InChIInChI=1S/C42H26N4OS/c1-3-12-25(13-4-1)40-44-41(26-14-5-2-6-15-26)46-42(45-40)32-24-43-38(30-19-11-21-35-36(30)29-18-9-10-20-34(29)48-35)39-37(32)31-22-27-16-7-8-17-28(27)23-33(31)47-39/h1-24,40H,(H,44,45,46)
InChIKeyUAPSTTDGYRQXLJ-UHFFFAOYSA-N
XLogP10.66
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.76
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
5-[2-[2,6-di(dibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 166699519
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
6-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenyl-[1]benzofuro[3,2-b]quinoline
CID 166800249
1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862

Frequently Asked Questions

What is the IUPAC name of 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 166800277) is 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(C2=NC(c3ccccc3)NC(c3cnc(-c4cccc5sc6ccccc6c45)c4oc5cc6ccccc6cc5c34)=N2)cc1.
What is the InChIKey of 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is UAPSTTDGYRQXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4OS/c1-3-12-25(13-4-1)40-44-41(26-14-5-2-6-15-26)46-42(45-40)32-24-43-38(30-19-11-21-35-36(30)29-18-9-10-20-34(29)48-35)39-37(32)31-22-27-16-7-8-17-28(27)23-33(31)47-39/h1-24,40H,(H,44,45,46).
What are the key properties of 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 634.76 g/mol, XLogP of 10.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 166800277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).