2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)

C170H114N18OS2 — CID 162163419

IUPAC2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)
SMILESc1ccc(-c2nc(-c3cc4ccccc4s3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3S.C40H27N3.C23H15N3O.C23H15N3S.2C21H15N3/c1-4-15-28(16-5-1)39-43-40(45-41(44-39)37-27-29-17-10-13-26-36(29)46-37)33-23-14-25-35-38(33)32-22-11-12-24-34(32)42(35,30-18-6-2-7-19-30)31-20-8-3-9-21-31;1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)33-25-15-27-35-36(33)32-24-13-14-26-34(32)40(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-3-9-16(10-4-1)21-24-22(17-11-5-2-6-12-17)26-23(25-21)20-15-18-13-7-8-14-19(18)27-20;2*1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-27H;1-27H;2*1-15H;2*1-15H
InChIKeyZMUKUDDZMMJJDK-UHFFFAOYSA-N
MW2489.04 g/mol
LogP41.14
Rot. Bonds22

About 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)

2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) (PubChem CID 162163419) has the molecular formula C170H114N18OS2 and a molecular weight of 2489.04 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine).

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)
PubChem CID162163419
Molecular FormulaC170H114N18OS2
Molecular Weight2489.04 g/mol
Exact Mass2486.89
IUPAC Name2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)
SMILESc1ccc(-c2nc(-c3cc4ccccc4s3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27N3S.C40H27N3.C23H15N3O.C23H15N3S.2C21H15N3/c1-4-15-28(16-5-1)39-43-40(45-41(44-39)37-27-29-17-10-13-26-36(29)46-37)33-23-14-25-35-38(33)32-22-11-12-24-34(32)42(35,30-18-6-2-7-19-30)31-20-8-3-9-21-31;1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)33-25-15-27-35-36(33)32-24-13-14-26-34(32)40(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-3-9-16(10-4-1)21-24-22(17-11-5-2-6-12-17)26-23(25-21)20-15-18-13-7-8-14-19(18)27-20;2*1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-27H;1-27H;2*1-15H;2*1-15H
InChIKeyZMUKUDDZMMJJDK-UHFFFAOYSA-N
XLogP41.14
TPSA245.16 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002489.04
LogP ≤ 541.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) with MolForge

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Related Compounds

2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 146246094
4-(1-benzothiophen-2-yl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 146186763
2-[4-(1-benzothiophen-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 146183519
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183676
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183144
2-(1-benzothiophen-2-yl)-4-phenyl-6-[3-(9-phenyl-1,2-didehydrofluoren-9-yl)phenyl]-1,3,5-triazine
CID 146246127
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-dibenzofuran-1-yl-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349773
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369515
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)?
The IUPAC name of 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) (CID 162163419) is 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine).
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) is c1ccc(-c2nc(-c3cc4ccccc4s3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4o3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)?
The InChIKey is ZMUKUDDZMMJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3S.C40H27N3.C23H15N3O.C23H15N3S.2C21H15N3/c1-4-15-28(16-5-1)39-43-40(45-41(44-39)37-27-29-17-10-13-26-36(29)46-37)33-23-14-25-35-38(33)32-22-11-12-24-34(32)42(35,30-18-6-2-7-19-30)31-20-8-3-9-21-31;1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)33-25-15-27-35-36(33)32-24-13-14-26-34(32)40(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31;2*1-3-9-16(10-4-1)21-24-22(17-11-5-2-6-12-17)26-23(25-21)20-15-18-13-7-8-14-19(18)27-20;2*1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-27H;1-27H;2*1-15H;2*1-15H.
What are the key properties of 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine)?
2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) has a molecular weight of 2489.04 g/mol, XLogP of 41.14, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine;bis(2,4,6-triphenyl-1,3,5-triazine) is sourced from PubChem (CID 162163419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).