2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline

C50H30N4OS — CID 164716314

IUPAC2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3oc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1
InChIInChI=1S/C50H30N4OS/c1-2-13-33(14-3-1)47-46-45(32-25-23-31(24-26-32)34-29-42(40-20-8-10-27-51-40)53-43(30-34)41-21-9-11-28-52-41)49(55-48(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)56-50(36)38/h1-30H
InChIKeyHHHHUBYBFXWDIT-UHFFFAOYSA-N
MW734.88 g/mol
LogP13.54
Rot. Bonds6

About 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline

2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline (PubChem CID 164716314) has the molecular formula C50H30N4OS and a molecular weight of 734.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline
PubChem CID164716314
Molecular FormulaC50H30N4OS
Molecular Weight734.88 g/mol
Exact Mass734.21
IUPAC Name2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3oc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1
InChIInChI=1S/C50H30N4OS/c1-2-13-33(14-3-1)47-46-45(32-25-23-31(24-26-32)34-29-42(40-20-8-10-27-51-40)53-43(30-34)41-21-9-11-28-52-41)49(55-48(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)56-50(36)38/h1-30H
InChIKeyHHHHUBYBFXWDIT-UHFFFAOYSA-N
XLogP13.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716471
8-(2,6-dipyridin-2-yl-4-pyridinyl)-1,2,4-triphenylfuro[2,3-c]quinoline
CID 164716715
4-[4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-diphenylfuro[3,2-c]quinoline;4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]quinoline;2,3-diphenyl-4-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]furo[3,2-c]quinoline;2,3-diphenyl-4-(4-triphenylen-2-ylphenyl)furo[3,2-c]quinoline
CID 165072083
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
6-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 164816907
1-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;1-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 160808607
2,3-diphenyl-4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]furo[3,2-c]quinoline;4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-diphenylfuro[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-diphenylfuro[3,2-c]quinoline
CID 165096165
2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[3,2-c]quinoline
CID 165065646
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 159968449
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-pyridin-2-ylphenanthridine
CID 146549323
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
CID 164716732
6-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158524980

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline?
The IUPAC name of 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline (CID 164716314) is 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline?
The canonical SMILES for 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline is c1ccc(-c2nc3ccccc3c3oc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline?
The InChIKey is HHHHUBYBFXWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4OS/c1-2-13-33(14-3-1)47-46-45(32-25-23-31(24-26-32)34-29-42(40-20-8-10-27-51-40)53-43(30-34)41-21-9-11-28-52-41)49(55-48(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)56-50(36)38/h1-30H.
What are the key properties of 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline?
2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline has a molecular weight of 734.88 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline is sourced from PubChem (CID 164716314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).