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

C49H29N3S2 — CID 163752158

IUPAC2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H29N3S2/c1-2-12-31(13-3-1)47-50-48(52-49(51-47)42-18-10-14-30-11-4-5-15-37(30)42)36-26-34(32-21-23-40-38-16-6-8-19-43(38)53-45(40)28-32)25-35(27-36)33-22-24-41-39-17-7-9-20-44(39)54-46(41)29-33/h1-29H
InChIKeyLQXNZDUHXMPOJA-UHFFFAOYSA-N
MW723.93 g/mol
LogP14.10
Rot. Bonds5

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

2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 163752158) has the molecular formula C49H29N3S2 and a molecular weight of 723.93 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID163752158
Molecular FormulaC49H29N3S2
Molecular Weight723.93 g/mol
Exact Mass723.18
IUPAC Name2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H29N3S2/c1-2-12-31(13-3-1)47-50-48(52-49(51-47)42-18-10-14-30-11-4-5-15-37(30)42)36-26-34(32-21-23-40-38-16-6-8-19-43(38)53-45(40)28-32)25-35(27-36)33-22-24-41-39-17-7-9-20-44(39)54-46(41)29-33/h1-29H
InChIKeyLQXNZDUHXMPOJA-UHFFFAOYSA-N
XLogP14.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.93
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171584432
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 162504462

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 163752158) is 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)c3)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is LQXNZDUHXMPOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3S2/c1-2-12-31(13-3-1)47-50-48(52-49(51-47)42-18-10-14-30-11-4-5-15-37(30)42)36-26-34(32-21-23-40-38-16-6-8-19-43(38)53-45(40)28-32)25-35(27-36)33-22-24-41-39-17-7-9-20-44(39)54-46(41)29-33/h1-29H.
What are the key properties of 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 723.93 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163752158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).