2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine

C45H27N3OS — CID 170204172

IUPAC2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)ccc34)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)37-25-32(27-40-41(37)35-19-10-11-22-39(35)50-40)31-23-24-33-34-20-12-21-36(42(34)49-38(33)26-31)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyQTYUYEKLAFTVIT-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (PubChem CID 170204172) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
PubChem CID170204172
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)ccc34)n2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)37-25-32(27-40-41(37)35-19-10-11-22-39(35)50-40)31-23-24-33-34-20-12-21-36(42(34)49-38(33)26-31)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyQTYUYEKLAFTVIT-UHFFFAOYSA-N
XLogP12.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.80
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[6-(1-phenyldibenzothiophen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200466
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2-dibenzofuran-3-yl-4-phenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378841
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzothiophen-3-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378738
2-(7-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155477532
2,4-diphenyl-6-[6-[4-phenyl-7-[3-[4-phenyl-6-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170198628
2,4-diphenyl-6-[7-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170198656
2-phenyl-4-[7-(4-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378458
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-phenyl-4-[6-(3-phenyldibenzothiophen-1-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206847
2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 170116450
2-phenyl-4-[8-(3-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378609

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine (CID 170204172) is 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3cc(-c5cc(-c6ccccc6)c6c(c5)sc5ccccc56)ccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
The InChIKey is QTYUYEKLAFTVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)37-25-32(27-40-41(37)35-19-10-11-22-39(35)50-40)31-23-24-33-34-20-12-21-36(42(34)49-38(33)26-31)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H.
What are the key properties of 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine has a molecular weight of 657.80 g/mol, XLogP of 12.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-1,3,5-triazine is sourced from PubChem (CID 170204172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).