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

C155H94N10S6 — CID 165065646

IUPAC2-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
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C57H35N3S2.C50H30N4S2.C48H29N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46;1-2-13-33(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)50(56-49(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38;1-3-14-31(15-4-1)44-43-42(30-26-28-32(29-27-30)48-50-39-23-10-11-24-40(39)51(48)33-16-5-2-6-17-33)47(53-46(43)36-19-7-9-22-38(36)49-44)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37/h1-35H;1-30H;1-29H
InChIKeyRXHOFGDKVQCWQR-UHFFFAOYSA-N
MW2288.93 g/mol
LogP44.11
Rot. Bonds18

About 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

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 (PubChem CID 165065646) has the molecular formula C155H94N10S6 and a molecular weight of 2288.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID165065646
Molecular FormulaC155H94N10S6
Molecular Weight2288.93 g/mol
Exact Mass2286.60
IUPAC Name2-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
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C57H35N3S2.C50H30N4S2.C48H29N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46;1-2-13-33(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)50(56-49(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38;1-3-14-31(15-4-1)44-43-42(30-26-28-32(29-27-30)48-50-39-23-10-11-24-40(39)51(48)33-16-5-2-6-17-33)47(53-46(43)36-19-7-9-22-38(36)49-44)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37/h1-35H;1-30H;1-29H
InChIKeyRXHOFGDKVQCWQR-UHFFFAOYSA-N
XLogP44.11
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.93
LogP ≤ 544.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c(-c6cccc7c6sc6ccccc67)sc6c5c(-c5ccccc5)nc5ccccc56)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c23)cc1.c1ccc(-c2nc3ccccc3c3sc(-c4cccc5c4sc4ccccc45)c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c23)cc1.
What is the InChIKey of 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?
The InChIKey is RXHOFGDKVQCWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3S2.C50H30N4S2.C48H29N3S2/c1-4-17-36(18-5-1)48-35-49(60-57(59-48)38-21-8-3-9-22-38)41-25-14-23-39(33-41)40-24-15-26-42(34-40)51-52-53(37-19-6-2-7-20-37)58-47-31-12-10-28-45(47)55(52)62-56(51)46-30-16-29-44-43-27-11-13-32-50(43)61-54(44)46;1-2-13-33(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)50(56-49(46)37-16-4-6-19-39(37)54-47)38-18-12-17-36-35-15-5-7-22-44(35)55-48(36)38;1-3-14-31(15-4-1)44-43-42(30-26-28-32(29-27-30)48-50-39-23-10-11-24-40(39)51(48)33-16-5-2-6-17-33)47(53-46(43)36-19-7-9-22-38(36)49-44)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37/h1-35H;1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 2288.93 g/mol, XLogP of 44.11, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165065646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).