2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

C39H24FN3S — CID 177130492

IUPAC2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3c(-c5ccccc5)cccc34)c2)n1
InChIInChI=1S/C39H24FN3S/c40-34-23-8-7-18-33(34)39-42-37(26-14-5-2-6-15-26)41-38(43-39)28-17-9-16-27(24-28)30-20-11-22-32-31-21-10-19-29(35(31)44-36(30)32)25-12-3-1-4-13-25/h1-24H
InChIKeyZHDHZWWQAXGUJA-UHFFFAOYSA-N
MW585.71 g/mol
LogP10.71
Rot. Bonds5

About 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine

2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (PubChem CID 177130492) has the molecular formula C39H24FN3S and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
PubChem CID177130492
Molecular FormulaC39H24FN3S
Molecular Weight585.71 g/mol
Exact Mass585.17
IUPAC Name2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
SMILESFc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3c(-c5ccccc5)cccc34)c2)n1
InChIInChI=1S/C39H24FN3S/c40-34-23-8-7-18-33(34)39-42-37(26-14-5-2-6-15-26)41-38(43-39)28-17-9-16-27(24-28)30-20-11-22-32-31-21-10-19-29(35(31)44-36(30)32)25-12-3-1-4-13-25/h1-24H
InChIKeyZHDHZWWQAXGUJA-UHFFFAOYSA-N
XLogP10.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2,4-diphenyl-6-[3-phenyl-5-[6-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650920
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 139549262
2-[3-(7,9-diphenyldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164884877
2,4-diphenyl-6-[3-[3-[6-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-yl]phenyl]phenyl]-1,3,5-triazine
CID 134430186
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine (CID 177130492) is 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is Fc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4c3sc3c(-c5ccccc5)cccc34)c2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is ZHDHZWWQAXGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24FN3S/c40-34-23-8-7-18-33(34)39-42-37(26-14-5-2-6-15-26)41-38(43-39)28-17-9-16-27(24-28)30-20-11-22-32-31-21-10-19-29(35(31)44-36(30)32)25-12-3-1-4-13-25/h1-24H.
What are the key properties of 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine?
2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 585.71 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177130492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).