8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline

C42H26N4O2 — CID 166502422

IUPAC8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline
SMILESC1=c2cccnc2=CC2Oc3cc(-c4cccc5oc6ccccc6c45)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C12
InChIInChI=1S/C42H26N4O2/c1-3-11-25(12-4-1)40-44-41(26-13-5-2-6-14-26)46-42(45-40)32-22-28(29-17-9-19-35-38(29)30-16-7-8-18-34(30)47-35)23-37-39(32)31-21-27-15-10-20-43-33(27)24-36(31)48-37/h1-24,31,36H
InChIKeyIBBBDTQGWSCCCN-UHFFFAOYSA-N
MW618.70 g/mol
LogP7.95
Rot. Bonds4

About 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline

8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline (PubChem CID 166502422) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline.

Molecular Properties

Compound Name8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline
PubChem CID166502422
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline
SMILESC1=c2cccnc2=CC2Oc3cc(-c4cccc5oc6ccccc6c45)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C12
InChIInChI=1S/C42H26N4O2/c1-3-11-25(12-4-1)40-44-41(26-13-5-2-6-14-26)46-42(45-40)32-22-28(29-17-9-19-35-38(29)30-16-7-8-18-34(30)47-35)23-37-39(32)31-21-27-15-10-20-43-33(27)24-36(31)48-37/h1-24,31,36H
InChIKeyIBBBDTQGWSCCCN-UHFFFAOYSA-N
XLogP7.95
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline 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

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-[1]benzofuro[3,2-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-[1]benzofuro[2,3-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-[1]benzofuro[2,3-g]quinoline
CID 167596046
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
4-dibenzofuran-1-yl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 169296957
2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378332
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170301918
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline?
The IUPAC name of 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline (CID 166502422) is 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline.
What is the SMILES notation for 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline?
The canonical SMILES for 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline is C1=c2cccnc2=CC2Oc3cc(-c4cccc5oc6ccccc6c45)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3C12.
What is the InChIKey of 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline?
The InChIKey is IBBBDTQGWSCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-11-25(12-4-1)40-44-41(26-13-5-2-6-14-26)46-42(45-40)32-22-28(29-17-9-19-35-38(29)30-16-7-8-18-34(30)47-35)23-37-39(32)31-21-27-15-10-20-43-33(27)24-36(31)48-37/h1-24,31,36H.
What are the key properties of 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline?
8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline has a molecular weight of 618.70 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-1-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5a,10a-dihydro-[1]benzofuro[3,2-g]quinoline is sourced from PubChem (CID 166502422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).