2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine

C134H80N16O2S3 — CID 159314383

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C49H29N5S2.C43H25N5OS.C42H26N6O/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)37-23-13-25-41-42(37)38-29-34(26-27-40(38)55-41)43-45-44(36-22-10-11-24-39(36)56-45)51-46(50-43)31-16-6-2-7-17-31;1-4-13-26(14-5-1)40-44-37(39-38(45-40)30-19-10-11-21-33(30)49-39)29-23-24-34-32(25-29)36-31(20-12-22-35(36)50-34)43-47-41(27-15-6-2-7-16-27)46-42(48-43)28-17-8-3-9-18-28;1-5-14-27(15-6-1)37-43-38(28-16-7-2-8-17-28)46-41(45-37)31-24-25-32-35(26-31)49-34-23-13-22-33(36(32)34)42-47-39(29-18-9-3-10-19-29)44-40(48-42)30-20-11-4-12-21-30/h1-29H;1-25H;1-26H
InChIKeyLCYJHMAEOWDQDV-UHFFFAOYSA-N
MW2042.42 g/mol
LogP34.62
Rot. Bonds17

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 159314383) has the molecular formula C134H80N16O2S3 and a molecular weight of 2042.42 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID159314383
Molecular FormulaC134H80N16O2S3
Molecular Weight2042.42 g/mol
Exact Mass2040.58
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C49H29N5S2.C43H25N5OS.C42H26N6O/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)37-23-13-25-41-42(37)38-29-34(26-27-40(38)55-41)43-45-44(36-22-10-11-24-39(36)56-45)51-46(50-43)31-16-6-2-7-17-31;1-4-13-26(14-5-1)40-44-37(39-38(45-40)30-19-10-11-21-33(30)49-39)29-23-24-34-32(25-29)36-31(20-12-22-35(36)50-34)43-47-41(27-15-6-2-7-16-27)46-42(48-43)28-17-8-3-9-18-28;1-5-14-27(15-6-1)37-43-38(28-16-7-2-8-17-28)46-41(45-37)31-24-25-32-35(26-31)49-34-23-13-22-33(36(32)34)42-47-39(29-18-9-3-10-19-29)44-40(48-42)30-20-11-4-12-21-30/h1-29H;1-25H;1-26H
InChIKeyLCYJHMAEOWDQDV-UHFFFAOYSA-N
XLogP34.62
TPSA232.52 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.42
LogP ≤ 534.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 147750654
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 155050032
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142519730
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 142519709
4-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152851071
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146962855
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148739924
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158703987
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 152847637
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142519265
2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 158321422
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978573

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 159314383) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is LCYJHMAEOWDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5S2.C43H25N5OS.C42H26N6O/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-52-47(32-18-8-3-9-19-32)53-49(54-48)37-23-13-25-41-42(37)38-29-34(26-27-40(38)55-41)43-45-44(36-22-10-11-24-39(36)56-45)51-46(50-43)31-16-6-2-7-17-31;1-4-13-26(14-5-1)40-44-37(39-38(45-40)30-19-10-11-21-33(30)49-39)29-23-24-34-32(25-29)36-31(20-12-22-35(36)50-34)43-47-41(27-15-6-2-7-16-27)46-42(48-43)28-17-8-3-9-18-28;1-5-14-27(15-6-1)37-43-38(28-16-7-2-8-17-28)46-41(45-37)31-24-25-32-35(26-31)49-34-23-13-22-33(36(32)34)42-47-39(29-18-9-3-10-19-29)44-40(48-42)30-20-11-4-12-21-30/h1-29H;1-25H;1-26H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2042.42 g/mol, XLogP of 34.62, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 159314383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).