2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine

C55H35N3S — CID 164942411

IUPAC2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3S/c1-3-17-37(18-4-1)44-22-9-11-25-49(44)54-56-53(57-55(58-54)50-26-12-10-23-45(50)38-19-5-2-6-20-38)43-34-41(40-31-30-36-16-7-8-21-39(36)32-40)33-42(35-43)46-27-15-28-48-47-24-13-14-29-51(47)59-52(46)48/h1-35H
InChIKeyRWISYHWMIRBWMN-UHFFFAOYSA-N
MW769.97 g/mol
LogP15.06
Rot. Bonds7

About 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine

2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine (PubChem CID 164942411) has the molecular formula C55H35N3S and a molecular weight of 769.97 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine
PubChem CID164942411
Molecular FormulaC55H35N3S
Molecular Weight769.97 g/mol
Exact Mass769.26
IUPAC Name2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C55H35N3S/c1-3-17-37(18-4-1)44-22-9-11-25-49(44)54-56-53(57-55(58-54)50-26-12-10-23-45(50)38-19-5-2-6-20-38)43-34-41(40-31-30-36-16-7-8-21-39(36)32-40)33-42(35-43)46-27-15-28-48-47-24-13-14-29-51(47)59-52(46)48/h1-35H
InChIKeyRWISYHWMIRBWMN-UHFFFAOYSA-N
XLogP15.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139442167
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171582844
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171582976
2-dibenzothiophen-4-yl-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 159934634
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-dibenzothiophen-4-yl-4-(3-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442031
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584973
2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942463
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171582942

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine (CID 164942411) is 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is RWISYHWMIRBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S/c1-3-17-37(18-4-1)44-22-9-11-25-49(44)54-56-53(57-55(58-54)50-26-12-10-23-45(50)38-19-5-2-6-20-38)43-34-41(40-31-30-36-16-7-8-21-39(36)32-40)33-42(35-43)46-27-15-28-48-47-24-13-14-29-51(47)59-52(46)48/h1-35H.
What are the key properties of 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine?
2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 769.97 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164942411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).