4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline

C49H31N5S — CID 164716665

IUPAC4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6sc(-c7cccnc7)c(-c7cccnc7)c56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H31N5S/c1-3-13-32(14-4-1)42-29-43(54-49(53-42)33-15-5-2-6-16-33)36-19-9-17-34(27-36)35-18-10-20-37(28-35)46-45-44(38-21-11-25-50-30-38)47(39-22-12-26-51-31-39)55-48(45)40-23-7-8-24-41(40)52-46/h1-31H
InChIKeyFFQHOFWUDDUECB-UHFFFAOYSA-N
MW721.89 g/mol
LogP12.70
Rot. Bonds7

About 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline

4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline (PubChem CID 164716665) has the molecular formula C49H31N5S and a molecular weight of 721.89 g/mol. Its IUPAC name is 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
PubChem CID164716665
Molecular FormulaC49H31N5S
Molecular Weight721.89 g/mol
Exact Mass721.23
IUPAC Name4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6sc(-c7cccnc7)c(-c7cccnc7)c56)c4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H31N5S/c1-3-13-32(14-4-1)42-29-43(54-49(53-42)33-15-5-2-6-16-33)36-19-9-17-34(27-36)35-18-10-20-37(28-35)46-45-44(38-21-11-25-50-30-38)47(39-22-12-26-51-31-39)55-48(45)40-23-7-8-24-41(40)52-46/h1-31H
InChIKeyFFQHOFWUDDUECB-UHFFFAOYSA-N
XLogP12.70
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline 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

4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716078
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
CID 165020295
4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165093225
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716116
2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164998302
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
CID 164716940
2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 164716166
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The IUPAC name of 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline (CID 164716665) is 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline.
What is the SMILES notation for 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The canonical SMILES for 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6sc(-c7cccnc7)c(-c7cccnc7)c56)c4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The InChIKey is FFQHOFWUDDUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5S/c1-3-13-32(14-4-1)42-29-43(54-49(53-42)33-15-5-2-6-16-33)36-19-9-17-34(27-36)35-18-10-20-37(28-35)46-45-44(38-21-11-25-50-30-38)47(39-22-12-26-51-31-39)55-48(45)40-23-7-8-24-41(40)52-46/h1-31H.
What are the key properties of 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline has a molecular weight of 721.89 g/mol, XLogP of 12.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).