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

C54H34N6S — CID 164716078

IUPAC4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7sc(-c8cccnc8)c(-c8cccnc8)c67)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C54H34N6S/c1-3-11-35(12-4-1)36-21-27-41(28-22-36)53-58-52(40-13-5-2-6-14-40)59-54(60-53)42-29-23-38(24-30-42)37-19-25-39(26-20-37)49-48-47(43-15-9-31-55-33-43)50(44-16-10-32-56-34-44)61-51(48)45-17-7-8-18-46(45)57-49/h1-34H
InChIKeyHXAVBHRILPFVGK-UHFFFAOYSA-N
MW798.98 g/mol
LogP13.76
Rot. Bonds8

About 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

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 (PubChem CID 164716078) has the molecular formula C54H34N6S and a molecular weight of 798.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
PubChem CID164716078
Molecular FormulaC54H34N6S
Molecular Weight798.98 g/mol
Exact Mass798.26
IUPAC Name4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7sc(-c8cccnc8)c(-c8cccnc8)c67)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C54H34N6S/c1-3-11-35(12-4-1)36-21-27-41(28-22-36)53-58-52(40-13-5-2-6-14-40)59-54(60-53)42-29-23-38(24-30-42)37-19-25-39(26-20-37)49-48-47(43-15-9-31-55-33-43)50(44-16-10-32-56-34-44)61-51(48)45-17-7-8-18-46(45)57-49/h1-34H
InChIKeyHXAVBHRILPFVGK-UHFFFAOYSA-N
XLogP13.76
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.98
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716665
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
CID 164716940
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
CID 155033256
4-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716711
7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716729
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6nc7ccccc7c7sc(-c8cccnc8)c(-c8cccnc8)c67)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is HXAVBHRILPFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6S/c1-3-11-35(12-4-1)36-21-27-41(28-22-36)53-58-52(40-13-5-2-6-14-40)59-54(60-53)42-29-23-38(24-30-42)37-19-25-39(26-20-37)49-48-47(43-15-9-31-55-33-43)50(44-16-10-32-56-34-44)61-51(48)45-17-7-8-18-46(45)57-49/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 798.98 g/mol, XLogP of 13.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).