2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine

C33H20FN3S — CID 177292330

IUPAC2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C33H20FN3S/c34-27-19-18-23(24-15-9-17-29-30(24)25-14-7-8-16-28(25)38-29)20-26(27)33-36-31(21-10-3-1-4-11-21)35-32(37-33)22-12-5-2-6-13-22/h1-20H
InChIKeyFIZRCJRWOVFNKR-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.05
Rot. Bonds4

About 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine

2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 177292330) has the molecular formula C33H20FN3S and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID177292330
Molecular FormulaC33H20FN3S
Molecular Weight509.61 g/mol
Exact Mass509.14
IUPAC Name2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine
SMILESFc1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C33H20FN3S/c34-27-19-18-23(24-15-9-17-29-30(24)25-14-7-8-16-28(25)38-29)20-26(27)33-36-31(21-10-3-1-4-11-21)35-32(37-33)22-12-5-2-6-13-22/h1-20H
InChIKeyFIZRCJRWOVFNKR-UHFFFAOYSA-N
XLogP9.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-(3-dibenzothiophen-1-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 169291118
2-[4-(4-chlorophenyl)phenyl]-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166916860
2-dibenzothiophen-3-yl-4-[2-fluoro-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 176849845
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2,4-bis(3-dibenzothiophen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139304118
2-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942605
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (CID 177292330) is 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc(-c2cccc3sc4ccccc4c23)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FIZRCJRWOVFNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20FN3S/c34-27-19-18-23(24-15-9-17-29-30(24)25-14-7-8-16-28(25)38-29)20-26(27)33-36-31(21-10-3-1-4-11-21)35-32(37-33)22-12-5-2-6-13-22/h1-20H.
What are the key properties of 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine?
2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 509.61 g/mol, XLogP of 9.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-1-yl-2-fluorophenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177292330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).