2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline

C50H32N4S — CID 164716732

IUPAC2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
SMILESc1ccc(-c2cccc(-c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)sc4c(-c5ccccc5)nc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-14-33(15-4-1)37-18-13-19-38(30-37)46-47-40-20-7-8-21-41(40)54-48(35-16-5-2-6-17-35)50(47)55-49(46)36-26-24-34(25-27-36)39-31-44(42-22-9-11-28-51-42)53-45(32-39)43-23-10-12-29-52-43/h1-32H
InChIKeyPJAMVGLXAKPUMH-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.30
Rot. Bonds7

About 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline (PubChem CID 164716732) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline.

Molecular Properties

Compound Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
PubChem CID164716732
Molecular FormulaC50H32N4S
Molecular Weight720.90 g/mol
Exact Mass720.23
IUPAC Name2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
SMILESc1ccc(-c2cccc(-c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)sc4c(-c5ccccc5)nc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N4S/c1-3-14-33(15-4-1)37-18-13-19-38(30-37)46-47-40-20-7-8-21-41(40)54-48(35-16-5-2-6-17-35)50(47)55-49(46)36-26-24-34(25-27-36)39-31-44(42-22-9-11-28-51-42)53-45(32-39)43-23-10-12-29-52-43/h1-32H
InChIKeyPJAMVGLXAKPUMH-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

Analyze 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline with MolForge

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Related Compounds

1,2-diphenyl-4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]thieno[2,3-c]quinoline;1,2-diphenyl-4-(4-triphenylen-2-ylphenyl)thieno[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,2-diphenylthieno[2,3-c]quinoline
CID 164983821
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716471
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
2-(3,5-diphenylphenyl)-1-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716410
2-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,4-diphenylthieno[2,3-c]quinoline
CID 164716151
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylthieno[2,3-c]quinoline
CID 164716452
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
CID 146549139
6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165383267
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
CID 165037696
6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,4-diphenyltriazolo[4,5-k]phenanthridine
CID 165383195

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline?
The IUPAC name of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline (CID 164716732) is 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline.
What is the SMILES notation for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline?
The canonical SMILES for 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline is c1ccc(-c2cccc(-c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)sc4c(-c5ccccc5)nc5ccccc5c34)c2)cc1.
What is the InChIKey of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline?
The InChIKey is PJAMVGLXAKPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-3-14-33(15-4-1)37-18-13-19-38(30-37)46-47-40-20-7-8-21-41(40)54-48(35-16-5-2-6-17-35)50(47)55-49(46)36-26-24-34(25-27-36)39-31-44(42-22-9-11-28-51-42)53-45(32-39)43-23-10-12-29-52-43/h1-32H.
What are the key properties of 2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline?
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-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-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline is sourced from PubChem (CID 164716732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).