2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine

C45H29N3OS — CID 170192008

IUPAC2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)Cc2sc3cccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c3c21
InChIInChI=1S/C45H29N3OS/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-25-26-36-40(27-30)50-39-24-12-21-34(42(36)39)32-18-8-7-17-31(32)33-20-11-23-38-41(33)35-19-9-10-22-37(35)49-38/h1-26,30H,27H2
InChIKeyFVLBLTBWGLWOPV-UHFFFAOYSA-N
MW659.81 g/mol
LogP12.01
Rot. Bonds5

About 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170192008) has the molecular formula C45H29N3OS and a molecular weight of 659.81 g/mol. Its IUPAC name is 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170192008
Molecular FormulaC45H29N3OS
Molecular Weight659.81 g/mol
Exact Mass659.20
IUPAC Name2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)Cc2sc3cccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c3c21
InChIInChI=1S/C45H29N3OS/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-25-26-36-40(27-30)50-39-24-12-21-34(42(36)39)32-18-8-7-17-31(32)33-20-11-23-38-41(33)35-19-9-10-22-37(35)49-38/h1-26,30H,27H2
InChIKeyFVLBLTBWGLWOPV-UHFFFAOYSA-N
XLogP12.01
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.81
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741701
2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 142615062
5-[1-[4-dibenzofuran-3-yl-6-(3,4-dihydrodibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167043373
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199430
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 170192008) is 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine is C1=CC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)Cc2sc3cccc(-c4ccccc4-c4cccc5oc6ccccc6c45)c3c21.
What is the InChIKey of 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FVLBLTBWGLWOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3OS/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)30-25-26-36-40(27-30)50-39-24-12-21-34(42(36)39)32-18-8-7-17-31(32)33-20-11-23-38-41(33)35-19-9-10-22-37(35)49-38/h1-26,30H,27H2.
What are the key properties of 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 659.81 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170192008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).