2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C57H35N3OS2 — CID 142342927

IUPAC2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c34)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1
InChIInChI=1S/C57H35N3OS2/c1-3-14-34(15-4-1)35-28-30-37(31-29-35)56-58-55(36-16-5-2-6-17-36)59-57(60-56)45-24-13-25-48-51(45)47-33-38(39-20-11-21-42-40-18-7-9-26-49(40)62-53(39)42)32-46(52(47)61-48)44-23-12-22-43-41-19-8-10-27-50(41)63-54(43)44/h1-33,57H,(H,58,59,60)
InChIKeyVTRPTTAZIRRKBR-UHFFFAOYSA-N
MW842.06 g/mol
LogP15.82
Rot. Bonds6

About 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 142342927) has the molecular formula C57H35N3OS2 and a molecular weight of 842.06 g/mol. Its IUPAC name is 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID142342927
Molecular FormulaC57H35N3OS2
Molecular Weight842.06 g/mol
Exact Mass841.22
IUPAC Name2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c34)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1
InChIInChI=1S/C57H35N3OS2/c1-3-14-34(15-4-1)35-28-30-37(31-29-35)56-58-55(36-16-5-2-6-17-36)59-57(60-56)45-24-13-25-48-51(45)47-33-38(39-20-11-21-42-40-18-7-9-26-49(40)62-53(39)42)32-46(52(47)61-48)44-23-12-22-43-41-19-8-10-27-50(41)63-54(43)44/h1-33,57H,(H,58,59,60)
InChIKeyVTRPTTAZIRRKBR-UHFFFAOYSA-N
XLogP15.82
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 515.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170145482
4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170192304
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
CID 166962322
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862
5-[2-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699662
6-[3-[6-(6-cyclohexa-2,4-dien-1-yldibenzothiophen-2-yl)dibenzofuran-1-yl]phenyl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166744600
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
10-[4-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 155019035

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 142342927) is 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c34)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1.
What is the InChIKey of 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is VTRPTTAZIRRKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3OS2/c1-3-14-34(15-4-1)35-28-30-37(31-29-35)56-58-55(36-16-5-2-6-17-36)59-57(60-56)45-24-13-25-48-51(45)47-33-38(39-20-11-21-42-40-18-7-9-26-49(40)62-53(39)42)32-46(52(47)61-48)44-23-12-22-43-41-19-8-10-27-50(41)63-54(43)44/h1-33,57H,(H,58,59,60).
What are the key properties of 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 842.06 g/mol, XLogP of 15.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 142342927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).