2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole

C40H24N4O2S — CID 146513508

IUPAC2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3c(-c5nc6ccccc6o5)cccc34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C40H24N4O2S/c1-2-11-23(12-3-1)37-42-38(28-17-8-14-25-24-13-4-6-21-32(24)45-34(25)28)44-39(43-37)29-18-9-15-26-27-16-10-19-30(36(27)47-35(26)29)40-41-31-20-5-7-22-33(31)46-40/h1-22,39H,(H,42,43,44)
InChIKeyVPRZKULURMZYST-UHFFFAOYSA-N
MW624.73 g/mol
LogP10.26
Rot. Bonds4

About 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole

2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole (PubChem CID 146513508) has the molecular formula C40H24N4O2S and a molecular weight of 624.73 g/mol. Its IUPAC name is 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole
PubChem CID146513508
Molecular FormulaC40H24N4O2S
Molecular Weight624.73 g/mol
Exact Mass624.16
IUPAC Name2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3c(-c5nc6ccccc6o5)cccc34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C40H24N4O2S/c1-2-11-23(12-3-1)37-42-38(28-17-8-14-25-24-13-4-6-21-32(24)45-34(25)28)44-39(43-37)29-18-9-15-26-27-16-10-19-30(36(27)47-35(26)29)40-41-31-20-5-7-22-33(31)46-40/h1-22,39H,(H,42,43,44)
InChIKeyVPRZKULURMZYST-UHFFFAOYSA-N
XLogP10.26
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.73
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole 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

4-dibenzofuran-4-yl-2-(9-phenyldibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170187141
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
2-dibenzothiophen-4-yl-6-phenyl-4-(9-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170187158
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-chrysen-1-yl-4-dibenzothiophen-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 163690426
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357091
2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 174321370
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole (CID 146513508) is 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole is c1ccc(C2=NC(c3cccc4c3sc3c(-c5nc6ccccc6o5)cccc34)N=C(c3cccc4c3oc3ccccc34)N2)cc1.
What is the InChIKey of 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole?
The InChIKey is VPRZKULURMZYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O2S/c1-2-11-23(12-3-1)37-42-38(28-17-8-14-25-24-13-4-6-21-32(24)45-34(25)28)44-39(43-37)29-18-9-15-26-27-16-10-19-30(36(27)47-35(26)29)40-41-31-20-5-7-22-33(31)46-40/h1-22,39H,(H,42,43,44).
What are the key properties of 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole?
2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole has a molecular weight of 624.73 g/mol, XLogP of 10.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-dibenzofuran-4-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 146513508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).