2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine

C34H22N2S — CID 130210857

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C34H22N2S/c1-3-9-24(10-4-1)30-22-31(25-11-5-2-6-12-25)36-34(35-30)26-17-15-23(16-18-26)27-19-20-33-29(21-27)28-13-7-8-14-32(28)37-33/h1-22H
InChIKeyYHYOFQAPJNOQSM-UHFFFAOYSA-N
MW490.63 g/mol
LogP9.51
Rot. Bonds4

About 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine

2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine (PubChem CID 130210857) has the molecular formula C34H22N2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
PubChem CID130210857
Molecular FormulaC34H22N2S
Molecular Weight490.63 g/mol
Exact Mass490.15
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C34H22N2S/c1-3-9-24(10-4-1)30-22-31(25-11-5-2-6-12-25)36-34(35-30)26-17-15-23(16-18-26)27-19-20-33-29(21-27)28-13-7-8-14-32(28)37-33/h1-22H
InChIKeyYHYOFQAPJNOQSM-UHFFFAOYSA-N
XLogP9.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583426
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 164848878
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-2-(4-pyrimidin-2-ylphenyl)pyrimidine
CID 130262505
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
4,6-diphenyl-2-[8-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-3-yl]pyrimidine
CID 155328901
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine (CID 130210857) is 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine?
The InChIKey is YHYOFQAPJNOQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2S/c1-3-9-24(10-4-1)30-22-31(25-11-5-2-6-12-25)36-34(35-30)26-17-15-23(16-18-26)27-19-20-33-29(21-27)28-13-7-8-14-32(28)37-33/h1-22H.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine?
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine has a molecular weight of 490.63 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine is sourced from PubChem (CID 130210857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).