4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine

C36H24N2S — CID 146183109

IUPAC4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5ccccc5s4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C36H24N2S/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)32-24-33(35-23-29-15-7-10-18-34(29)39-35)38-36(37-32)31-17-9-8-16-30(31)27-13-5-2-6-14-27/h1-24H
InChIKeySDPPRAKCOCSNKU-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.03
Rot. Bonds5

About 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine

4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (PubChem CID 146183109) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
PubChem CID146183109
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5ccccc5s4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C36H24N2S/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)32-24-33(35-23-29-15-7-10-18-34(29)39-35)38-36(37-32)31-17-9-8-16-30(31)27-13-5-2-6-14-27/h1-24H
InChIKeySDPPRAKCOCSNKU-UHFFFAOYSA-N
XLogP10.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-benzothiophen-2-yl)phenyl]-2-dibenzothiophen-3-yl-6-(2-phenylphenyl)pyrimidine
CID 146186804
2-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 146183675
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-(1-benzothiophen-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146183055
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 146183218
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585066
4-(1-benzothiophen-2-yl)-6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidine
CID 146186725
4-[3-dibenzothiophen-3-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584456
4-[2-(1-benzothiophen-2-yl)phenyl]-2-[(1R)-11-[4-[2-(1-benzothiophen-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 167537097
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134191374
4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine;4-[4-(1-benzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;9-[3-[6-[4-(1-benzothiophen-2-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)pyrimidin-4-yl]-5-carbazol-9-ylphenyl]carbazole
CID 161021730

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine (CID 146183109) is 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc5ccccc5s4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
The InChIKey is SDPPRAKCOCSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-3-11-25(12-4-1)26-19-21-28(22-20-26)32-24-33(35-23-29-15-7-10-18-34(29)39-35)38-36(37-32)31-17-9-8-16-30(31)27-13-5-2-6-14-27/h1-24H.
What are the key properties of 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine?
4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine has a molecular weight of 516.67 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 146183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).