2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C37H27N3S — CID 145447899

IUPAC2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC/C=C(\C)c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3c2c1
InChIInChI=1S/C37H27N3S/c1-3-24(2)27-20-21-32-31(23-27)34-30(18-11-19-33(34)41-32)37-39-35(26-14-8-5-9-15-26)38-36(40-37)29-17-10-16-28(22-29)25-12-6-4-7-13-25/h3-23H,1-2H3/b24-3+
InChIKeyXOUOIUPMMZPKMT-QHVLENNUSA-N
MW545.71 g/mol
LogP10.33
Rot. Bonds5

About 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 145447899) has the molecular formula C37H27N3S and a molecular weight of 545.71 g/mol. Its IUPAC name is 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID145447899
Molecular FormulaC37H27N3S
Molecular Weight545.71 g/mol
Exact Mass545.19
IUPAC Name2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC/C=C(\C)c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3c2c1
InChIInChI=1S/C37H27N3S/c1-3-24(2)27-20-21-32-31(23-27)34-30(18-11-19-33(34)41-32)37-39-35(26-14-8-5-9-15-26)38-36(40-37)29-17-10-16-28(22-29)25-12-6-4-7-13-25/h3-23H,1-2H3/b24-3+
InChIKeyXOUOIUPMMZPKMT-QHVLENNUSA-N
XLogP10.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.71
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
2-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155762425
2-(8-dibenzothiophen-1-ylnaphthalen-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 166933840
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 164984529

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 145447899) is 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is C/C=C(\C)c1ccc2sc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3c2c1.
What is the InChIKey of 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XOUOIUPMMZPKMT-QHVLENNUSA-N. The full InChI is InChI=1S/C37H27N3S/c1-3-24(2)27-20-21-32-31(23-27)34-30(18-11-19-33(34)41-32)37-39-35(26-14-8-5-9-15-26)38-36(40-37)29-17-10-16-28(22-29)25-12-6-4-7-13-25/h3-23H,1-2H3/b24-3+.
What are the key properties of 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 545.71 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(E)-but-2-en-2-yl]dibenzothiophen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 145447899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).