2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

C109H67N9S5 — CID 157358574

IUPAC2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cc5ccccc5s4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C39H25N3S.2C35H21N3S2/c1-2-11-26(12-3-1)33-17-7-8-18-34(33)38-40-37(41-39(42-38)36-25-30-14-5-9-20-35(30)43-36)29-23-21-28(22-24-29)32-19-10-15-27-13-4-6-16-31(27)32;1-2-10-22(11-3-1)25-13-5-6-15-28(25)34-36-33(37-35(38-34)32-20-23-12-4-8-16-29(23)39-32)24-18-19-27-26-14-7-9-17-30(26)40-31(27)21-24;1-2-9-22(10-3-1)23-12-8-13-25(19-23)33-36-34(38-35(37-33)32-20-24-11-4-6-15-29(24)39-32)26-17-18-28-27-14-5-7-16-30(27)40-31(28)21-26/h1-25H;2*1-21H
InChIKeyBIJHRZFDLOXTOE-UHFFFAOYSA-N
MW1663.13 g/mol
LogP30.82
Rot. Bonds13

About 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 157358574) has the molecular formula C109H67N9S5 and a molecular weight of 1663.13 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID157358574
Molecular FormulaC109H67N9S5
Molecular Weight1663.13 g/mol
Exact Mass1661.41
IUPAC Name2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cc5ccccc5s4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C39H25N3S.2C35H21N3S2/c1-2-11-26(12-3-1)33-17-7-8-18-34(33)38-40-37(41-39(42-38)36-25-30-14-5-9-20-35(30)43-36)29-23-21-28(22-24-29)32-19-10-15-27-13-4-6-16-31(27)32;1-2-10-22(11-3-1)25-13-5-6-15-28(25)34-36-33(37-35(38-34)32-20-23-12-4-8-16-29(23)39-32)24-18-19-27-26-14-7-9-17-30(26)40-31(27)21-24;1-2-9-22(10-3-1)23-12-8-13-25(19-23)33-36-34(38-35(37-33)32-20-24-11-4-6-15-29(24)39-32)26-17-18-28-27-14-5-7-16-30(27)40-31(28)21-26/h1-25H;2*1-21H
InChIKeyBIJHRZFDLOXTOE-UHFFFAOYSA-N
XLogP30.82
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001663.13
LogP ≤ 530.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 163752158
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183552
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583030
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(2-phenylphenyl)pyrimidine
CID 146186804
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183251
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 157358574) is 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cc5ccccc5s4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc4ccccc4s3)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cc4ccccc4s3)n2)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is BIJHRZFDLOXTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S.2C35H21N3S2/c1-2-11-26(12-3-1)33-17-7-8-18-34(33)38-40-37(41-39(42-38)36-25-30-14-5-9-20-35(30)43-36)29-23-21-28(22-24-29)32-19-10-15-27-13-4-6-16-31(27)32;1-2-10-22(11-3-1)25-13-5-6-15-28(25)34-36-33(37-35(38-34)32-20-23-12-4-8-16-29(23)39-32)24-18-19-27-26-14-7-9-17-30(26)40-31(27)21-24;1-2-9-22(10-3-1)23-12-8-13-25(19-23)33-36-34(38-35(37-33)32-20-24-11-4-6-15-29(24)39-32)26-17-18-28-27-14-5-7-16-30(27)40-31(28)21-26/h1-25H;2*1-21H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 1663.13 g/mol, XLogP of 30.82, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(2-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine;2-(1-benzothiophen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157358574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).