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

C50H30N4S2 — CID 164716471

IUPAC2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1
InChIInChI=1S/C50H30N4S2/c1-2-13-33(14-3-1)47-50-46(37-16-4-6-19-39(37)54-47)45(49(56-50)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38)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/h1-30H
InChIKeyDBUDTKDWPSQGDF-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.00
Rot. Bonds6

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

2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline (PubChem CID 164716471) has the molecular formula C50H30N4S2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
PubChem CID164716471
Molecular FormulaC50H30N4S2
Molecular Weight750.95 g/mol
Exact Mass750.19
IUPAC Name2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1
InChIInChI=1S/C50H30N4S2/c1-2-13-33(14-3-1)47-50-46(37-16-4-6-19-39(37)54-47)45(49(56-50)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38)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/h1-30H
InChIKeyDBUDTKDWPSQGDF-UHFFFAOYSA-N
XLogP14.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenyl-1-(3-phenylphenyl)thieno[2,3-c]quinoline
CID 164716732
2-dibenzothiophen-4-yl-3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylfuro[3,2-c]quinoline
CID 164716314
2-dibenzothiophen-4-yl-1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716901
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole
CID 164716297
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
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]thieno[2,3-c]quinoline;2-dibenzothiophen-4-yl-4-phenyl-1-[4-(2-phenylquinazolin-4-yl)phenyl]thieno[2,3-c]quinoline;2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole;[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-diphenylphosphane;hydrate
CID 165058861
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
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 159968449
10-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-pyridin-4-ylphenanthridine
CID 146549133
2-dibenzothiophen-4-yl-3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 164716166
11-(2,6-dipyridin-2-yl-4-pyridinyl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(3-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;14-phenyl-11-(4-phenylquinazolin-2-yl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 158006225

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline?
The IUPAC name of 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline (CID 164716471) is 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline?
The canonical SMILES for 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline is c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline?
The InChIKey is DBUDTKDWPSQGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2/c1-2-13-33(14-3-1)47-50-46(37-16-4-6-19-39(37)54-47)45(49(56-50)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38)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/h1-30H.
What are the key properties of 2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline?
2-dibenzothiophen-4-yl-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline has a molecular weight of 750.95 g/mol, XLogP of 14.00, 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-1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-4-phenylthieno[2,3-c]quinoline is sourced from PubChem (CID 164716471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).