2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C39H25N3OS — CID 170011216

IUPAC2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC2Oc3ccc(-c4ccccc4)cc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1
InChIInChI=1S/C39H25N3OS/c1-3-11-24(12-4-1)26-21-22-31-30(23-26)35-28(16-9-18-32(35)43-31)38-40-37(25-13-5-2-6-14-25)41-39(42-38)29-17-10-20-34-36(29)27-15-7-8-19-33(27)44-34/h1-23,32,35H
InChIKeyZLQOSQHJFAIXOO-UHFFFAOYSA-N
MW583.72 g/mol
LogP9.74
Rot. Bonds4

About 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170011216) has the molecular formula C39H25N3OS and a molecular weight of 583.72 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170011216
Molecular FormulaC39H25N3OS
Molecular Weight583.72 g/mol
Exact Mass583.17
IUPAC Name2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC2Oc3ccc(-c4ccccc4)cc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1
InChIInChI=1S/C39H25N3OS/c1-3-11-24(12-4-1)26-21-22-31-30(23-26)35-28(16-9-18-32(35)43-31)38-40-37(25-13-5-2-6-14-25)41-39(42-38)29-17-10-20-34-36(29)27-15-7-8-19-33(27)44-34/h1-23,32,35H
InChIKeyZLQOSQHJFAIXOO-UHFFFAOYSA-N
XLogP9.74
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.72
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-1-yl-4-(9-phenyl-5a,9a-dihydrodibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 142615286
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170011885
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167184052
2-(7-dibenzothiophen-4-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 167007927
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-dibenzothiophen-1-yl-4-(2-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167007481
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-dibenzothiophen-3-yl-4-(2-dibenzothiophen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170423969
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-[4-(7-naphthalen-2-yl-4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170424177
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 170011216) is 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=CC2Oc3ccc(-c4ccccc4)cc3C2C(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccccc5c34)n2)=C1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is ZLQOSQHJFAIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3OS/c1-3-11-24(12-4-1)26-21-22-31-30(23-26)35-28(16-9-18-32(35)43-31)38-40-37(25-13-5-2-6-14-25)41-39(42-38)29-17-10-20-34-36(29)27-15-7-8-19-33(27)44-34/h1-23,32,35H.
What are the key properties of 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 583.72 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-phenyl-6-(8-phenyl-4a,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170011216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).