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

C49H31N3S — CID 139442114

IUPAC2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)ccc6ccccc56)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3S/c1-3-12-34(13-4-1)40-31-30-35-14-7-8-17-39(35)45(40)36-26-22-32(23-27-36)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-20-11-19-42-41-18-9-10-21-44(41)53-46(42)43/h1-31H
InChIKeyVOJSGNIIWJVBBC-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.39
Rot. Bonds6

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

2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 139442114) 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-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
PubChem CID139442114
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)ccc6ccccc56)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H31N3S/c1-3-12-34(13-4-1)40-31-30-35-14-7-8-17-39(35)45(40)36-26-22-32(23-27-36)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-20-11-19-42-41-18-9-10-21-44(41)53-46(42)43/h1-31H
InChIKeyVOJSGNIIWJVBBC-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-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 139442293
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-di(dibenzothiophen-4-yl)-6-[3-naphthalen-1-yl-6-phenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349136
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441673
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481410
2-dibenzothiophen-4-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 161120193
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139442223
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441932
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442322

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine (CID 139442114) is 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5c(-c6ccccc6)ccc6ccccc56)cc4)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is VOJSGNIIWJVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-3-12-34(13-4-1)40-31-30-35-14-7-8-17-39(35)45(40)36-26-22-32(23-27-36)33-24-28-38(29-25-33)48-50-47(37-15-5-2-6-16-37)51-49(52-48)43-20-11-19-42-41-18-9-10-21-44(41)53-46(42)43/h1-31H.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-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-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 139442114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).