2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine

C59H39N3S — CID 146246095

IUPAC2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)nc(-c4cc5ccccc5s4)n3)c2)cc1
InChIInChI=1S/C59H39N3S/c1-6-19-40(20-7-1)47-30-18-31-49(37-47)58-60-57(61-59(62-58)53-38-48-29-16-17-32-52(48)63-53)46-35-33-42(34-36-46)51-39-50(41-21-8-2-9-22-41)54(43-23-10-3-11-24-43)56(45-27-14-5-15-28-45)55(51)44-25-12-4-13-26-44/h1-39H
InChIKeyUYHZINGKPWIJHY-UHFFFAOYSA-N
MW822.05 g/mol
LogP16.09
Rot. Bonds9

About 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine

2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 146246095) has the molecular formula C59H39N3S and a molecular weight of 822.05 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID146246095
Molecular FormulaC59H39N3S
Molecular Weight822.05 g/mol
Exact Mass821.29
IUPAC Name2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)nc(-c4cc5ccccc5s4)n3)c2)cc1
InChIInChI=1S/C59H39N3S/c1-6-19-40(20-7-1)47-30-18-31-49(37-47)58-60-57(61-59(62-58)53-38-48-29-16-17-32-52(48)63-53)46-35-33-42(34-36-46)51-39-50(41-21-8-2-9-22-41)54(43-23-10-3-11-24-43)56(45-27-14-5-15-28-45)55(51)44-25-12-4-13-26-44/h1-39H
InChIKeyUYHZINGKPWIJHY-UHFFFAOYSA-N
XLogP16.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
2-(1-benzothiophen-2-yl)-4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186744
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-(1-benzothiophen-2-yl)-4-(1-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278776
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
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183552
2-(1-benzothiophen-2-yl)-4-naphthalen-2-yl-6-[3-(3,5,6-triphenylpyrazin-2-yl)phenyl]-1,3,5-triazine
CID 156562361
2-(1-benzothiophen-2-yl)-4-dibenzothiophen-4-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 146183251
2-[3-[4-(1-benzothiophen-2-yl)phenyl]-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163807686
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183037
2-(1-benzothiophen-2-yl)-4-dibenzofuran-3-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146186752

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (CID 146246095) is 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5-c5ccccc5)cc4)nc(-c4cc5ccccc5s4)n3)c2)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is UYHZINGKPWIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3S/c1-6-19-40(20-7-1)47-30-18-31-49(37-47)58-60-57(61-59(62-58)53-38-48-29-16-17-32-52(48)63-53)46-35-33-42(34-36-46)51-39-50(41-21-8-2-9-22-41)54(43-23-10-3-11-24-43)56(45-27-14-5-15-28-45)55(51)44-25-12-4-13-26-44/h1-39H.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 822.05 g/mol, XLogP of 16.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146246095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).