2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline

C50H32N4S — CID 164716782

IUPAC2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4S/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-45(35-18-7-2-8-19-35)51-42-27-14-13-26-41(42)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H
InChIKeyVUCSNDAISLQNMD-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.30
Rot. Bonds7

About 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline

2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 164716782) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.

Molecular Properties

Compound Name2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
PubChem CID164716782
Molecular FormulaC50H32N4S
Molecular Weight720.90 g/mol
Exact Mass720.23
IUPAC Name2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4S/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-45(35-18-7-2-8-19-35)51-42-27-14-13-26-41(42)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H
InChIKeyVUCSNDAISLQNMD-UHFFFAOYSA-N
XLogP13.30
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
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
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
2,4-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-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716711
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716451
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
CID 155033256

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The IUPAC name of 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (CID 164716782) is 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.
What is the SMILES notation for 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The canonical SMILES for 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5c(-c6ccccc6)sc6c5c(-c5ccccc5)nc5ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The InChIKey is VUCSNDAISLQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)43-44-45(35-18-7-2-8-19-35)51-42-27-14-13-26-41(42)47(44)55-46(43)36-20-9-3-10-21-36/h1-32H.
What are the key properties of 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline has a molecular weight of 720.90 g/mol, XLogP of 13.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline is sourced from PubChem (CID 164716782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).