4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

C51H35N3S — CID 156574841

IUPAC4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H35N3S/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)42-28-15-29-44-46-45(51-53-49(36-20-9-3-10-21-36)52-50(54-51)37-22-11-4-12-23-37)31-30-43(48(46)55-47(42)44)41-27-14-25-39(33-41)35-18-7-2-8-19-35/h1-33,49H,(H,52,53,54)
InChIKeyNUIXAFIRWIJHIV-UHFFFAOYSA-N
MW721.93 g/mol
LogP13.22
Rot. Bonds7

About 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine

4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 156574841) has the molecular formula C51H35N3S and a molecular weight of 721.93 g/mol. Its IUPAC name is 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID156574841
Molecular FormulaC51H35N3S
Molecular Weight721.93 g/mol
Exact Mass721.26
IUPAC Name4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C51H35N3S/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)42-28-15-29-44-46-45(51-53-49(36-20-9-3-10-21-36)52-50(54-51)37-22-11-4-12-23-37)31-30-43(48(46)55-47(42)44)41-27-14-25-39(33-41)35-18-7-2-8-19-35/h1-33,49H,(H,52,53,54)
InChIKeyNUIXAFIRWIJHIV-UHFFFAOYSA-N
XLogP13.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.93
LogP ≤ 513.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
6-(4-naphthalen-2-ylphenyl)-4-naphtho[1,2-b][1]benzothiol-7-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174310067
6-phenyl-2-(3-phenylphenyl)-4-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,2-dihydro-1,3,5-triazine
CID 147640194
6-(4-phenylnaphthalen-1-yl)-4-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[2,3-c]pyridine
CID 155327295
2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 142453353
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine
CID 175618024
2-[4-[6-(3-methylphenyl)-2-[3-[2-(3-methylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154955591
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
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 156574841) is 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cccc(-c5ccccc5)c4)c4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is NUIXAFIRWIJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3S/c1-5-16-34(17-6-1)38-24-13-26-40(32-38)42-28-15-29-44-46-45(51-53-49(36-20-9-3-10-21-36)52-50(54-51)37-22-11-4-12-23-37)31-30-43(48(46)55-47(42)44)41-27-14-25-39(33-41)35-18-7-2-8-19-35/h1-33,49H,(H,52,53,54).
What are the key properties of 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine?
4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 721.93 g/mol, XLogP of 13.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 156574841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).