2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine

C49H31N3S — CID 155481250

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3S/c1-3-14-32(15-4-1)37-30-31-41(40-21-10-9-20-39(37)40)38-19-8-7-18-36(38)33-26-28-35(29-27-33)48-50-47(34-16-5-2-6-17-34)51-49(52-48)44-24-13-23-43-42-22-11-12-25-45(42)53-46(43)44/h1-31H
InChIKeyIJQCFTACYQIADC-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.39
Rot. Bonds6

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

2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 155481250) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID155481250
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3S/c1-3-14-32(15-4-1)37-30-31-41(40-21-10-9-20-39(37)40)38-19-8-7-18-36(38)33-26-28-35(29-27-33)48-50-47(34-16-5-2-6-17-34)51-49(52-48)44-24-13-23-43-42-22-11-12-25-45(42)53-46(43)44/h1-31H
InChIKeyIJQCFTACYQIADC-UHFFFAOYSA-N
XLogP13.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164942648
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 160884383
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-(4-dibenzothiophen-4-yl-3-phenylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163619693
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine (CID 155481250) is 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccccc4-c4ccc(-c5ccccc5)c5ccccc45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is IJQCFTACYQIADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-3-14-32(15-4-1)37-30-31-41(40-21-10-9-20-39(37)40)38-19-8-7-18-36(38)33-26-28-35(29-27-33)48-50-47(34-16-5-2-6-17-34)51-49(52-48)44-24-13-23-43-42-22-11-12-25-45(42)53-46(43)44/h1-31H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 693.88 g/mol, XLogP of 13.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 155481250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).