2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

C45H27N3OS — CID 170199155

IUPAC2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-25-36-33-19-10-11-21-38(33)49-42(36)37(26-32)34-20-12-22-39-41(34)35-24-23-31(27-40(35)50-39)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyUWAUNWZDPINBFZ-UHFFFAOYSA-N
MW657.80 g/mol
LogP12.47
Rot. Bonds5

About 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (PubChem CID 170199155) has the molecular formula C45H27N3OS and a molecular weight of 657.80 g/mol. Its IUPAC name is 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
PubChem CID170199155
Molecular FormulaC45H27N3OS
Molecular Weight657.80 g/mol
Exact Mass657.19
IUPAC Name2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-25-36-33-19-10-11-21-38(33)49-42(36)37(26-32)34-20-12-22-39-41(34)35-24-23-31(27-40(35)50-39)45-47-43(29-15-6-2-7-16-29)46-44(48-45)30-17-8-3-9-18-30/h1-27H
InChIKeyUWAUNWZDPINBFZ-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-(2,3,4,5,6-pentadeuteriophenyl)-4-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170514665
2-[3-(9-dibenzofuran-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377179
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156
2-(9-dibenzofuran-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952912
2-phenyl-4-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170201278
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163439299
2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 163599214
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine (CID 170199155) is 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c34)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
The InChIKey is UWAUNWZDPINBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3OS/c1-4-13-28(14-5-1)32-25-36-33-19-10-11-21-38(33)49-42(36)37(26-32)34-20-12-22-39-41(34)35-24-23-31(27-40(35)50-39)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-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-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-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine is sourced from PubChem (CID 170199155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).