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

C51H35N3OS — CID 166744600

IUPAC6-[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
SMILESC1=CCC(c2cccc3c2sc2ccc(-c4cccc5c4oc4cccc(-c6cccc(C7=NC(c8ccccc8)=NC(c8ccccc8)N7)c6)c45)cc23)C=C1
InChIInChI=1S/C51H35N3OS/c1-4-14-32(15-5-1)40-24-12-25-41-43-31-36(28-29-45(43)56-48(40)41)39-23-11-26-42-46-38(22-13-27-44(46)55-47(39)42)35-20-10-21-37(30-35)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-14,16-32,49H,15H2,(H,52,53,54)
InChIKeyGRGHYSHMQDPPAF-UHFFFAOYSA-N
MW737.93 g/mol
LogP13.38
Rot. Bonds6

About 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

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 (PubChem CID 166744600) has the molecular formula C51H35N3OS and a molecular weight of 737.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID166744600
Molecular FormulaC51H35N3OS
Molecular Weight737.93 g/mol
Exact Mass737.25
IUPAC Name6-[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
SMILESC1=CCC(c2cccc3c2sc2ccc(-c4cccc5c4oc4cccc(-c6cccc(C7=NC(c8ccccc8)=NC(c8ccccc8)N7)c6)c45)cc23)C=C1
InChIInChI=1S/C51H35N3OS/c1-4-14-32(15-5-1)40-24-12-25-41-43-31-36(28-29-45(43)56-48(40)41)39-23-11-26-42-46-38(22-13-27-44(46)55-47(39)42)35-20-10-21-37(30-35)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-14,16-32,49H,15H2,(H,52,53,54)
InChIKeyGRGHYSHMQDPPAF-UHFFFAOYSA-N
XLogP13.38
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.93
LogP ≤ 513.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

(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-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 142342927
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
6-cyclohexa-2,4-dien-1-yl-2-(9-dibenzothiophen-4-ylnaphtho[1,2-b][1]benzofuran-4-yl)-4-(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163688757
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CCC(c2cccc3c2sc2ccc(-c4cccc5c4oc4cccc(-c6cccc(C7=NC(c8ccccc8)=NC(c8ccccc8)N7)c6)c45)cc23)C=C1.
What is the InChIKey of 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?
The InChIKey is GRGHYSHMQDPPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3OS/c1-4-14-32(15-5-1)40-24-12-25-41-43-31-36(28-29-45(43)56-48(40)41)39-23-11-26-42-46-38(22-13-27-44(46)55-47(39)42)35-20-10-21-37(30-35)51-53-49(33-16-6-2-7-17-33)52-50(54-51)34-18-8-3-9-19-34/h1-14,16-32,49H,15H2,(H,52,53,54).
What are the key properties of 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?
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 has a molecular weight of 737.93 g/mol, XLogP of 13.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166744600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).