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

C49H29N3OS — CID 174259797

IUPAC2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C49H29N3OS/c1-2-12-32(13-3-1)41-28-36(29-43-45(41)39-16-6-8-19-42(39)53-43)48-50-47(33-24-21-31(22-25-33)35-26-23-30-11-4-5-14-34(30)27-35)51-49(52-48)40-18-10-17-38-37-15-7-9-20-44(37)54-46(38)40/h1-29H
InChIKeyATRPITBPNOSHEV-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.63
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 174259797) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID174259797
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc3oc4ccccc4c23)cc1
InChIInChI=1S/C49H29N3OS/c1-2-12-32(13-3-1)41-28-36(29-43-45(41)39-16-6-8-19-42(39)53-43)48-50-47(33-24-21-31(22-25-33)35-26-23-30-11-4-5-14-34(30)27-35)51-49(52-48)40-18-10-17-38-37-15-7-9-20-44(37)54-46(38)40/h1-29H
InChIKeyATRPITBPNOSHEV-UHFFFAOYSA-N
XLogP13.63
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-dibenzothiophen-4-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259541
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-phenyl-4-[6-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200988
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 174259797) is 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2cc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc3oc4ccccc4c23)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is ATRPITBPNOSHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-2-12-32(13-3-1)41-28-36(29-43-45(41)39-16-6-8-19-42(39)53-43)48-50-47(33-24-21-31(22-25-33)35-26-23-30-11-4-5-14-34(30)27-35)51-49(52-48)40-18-10-17-38-37-15-7-9-20-44(37)54-46(38)40/h1-29H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 707.86 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174259797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).