4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine

C35H24N2S — CID 142491030

IUPAC4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCc1ccc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3ccccc3c12
InChIInChI=1S/C35H24N2S/c1-23-20-21-28(34-33(23)29-18-10-11-19-32(29)38-34)26-16-8-9-17-27(26)31-22-30(24-12-4-2-5-13-24)36-35(37-31)25-14-6-3-7-15-25/h2-22H,1H3
InChIKeyLINJSUCUYPWCGQ-UHFFFAOYSA-N
MW504.66 g/mol
LogP9.82
Rot. Bonds4

About 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine

4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 142491030) has the molecular formula C35H24N2S and a molecular weight of 504.66 g/mol. Its IUPAC name is 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID142491030
Molecular FormulaC35H24N2S
Molecular Weight504.66 g/mol
Exact Mass504.17
IUPAC Name4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESCc1ccc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3ccccc3c12
InChIInChI=1S/C35H24N2S/c1-23-20-21-28(34-33(23)29-18-10-11-19-32(29)38-34)26-16-8-9-17-27(26)31-22-30(24-12-4-2-5-13-24)36-35(37-31)25-14-6-3-7-15-25/h2-22H,1H3
InChIKeyLINJSUCUYPWCGQ-UHFFFAOYSA-N
XLogP9.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155328999
4-[4-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-yl]-2,6-diphenylpyrimidine
CID 142491221
2-[6-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-1-yl]-4,6-diphenylpyrimidine
CID 155328556
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]pyrimidine
CID 142491179
4-[3-dibenzothiophen-4-yl-5-(2-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171582895
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632515
4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632160
2-[1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142453320
2-[2-(2-dibenzothiophen-4-ylphenyl)-4-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174268135
11-(2,6-diphenylpyrimidin-4-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513549
2,4-diphenyl-6-[9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 155328757
2-dibenzothiophen-1-yl-4,6-diphenylpyrimidine
CID 134199317

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine (CID 142491030) is 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine is Cc1ccc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2sc3ccccc3c12.
What is the InChIKey of 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is LINJSUCUYPWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2S/c1-23-20-21-28(34-33(23)29-18-10-11-19-32(29)38-34)26-16-8-9-17-27(26)31-22-30(24-12-4-2-5-13-24)36-35(37-31)25-14-6-3-7-15-25/h2-22H,1H3.
What are the key properties of 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine?
4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 504.66 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methyldibenzothiophen-4-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 142491030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).