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

C236H144N13O2PS10 — CID 165058861

IUPAC2-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
SMILESO.c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)sc5c(-c6ccccc6)nc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6o5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1
InChIInChI=1S/C50H30N4S2.C49H29N3S2.C48H29N3S2.C47H30NPS2.C42H24N2OS2.H2O/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;1-3-14-31(15-4-1)45-48-43(36-19-7-10-23-39(36)50-45)42(47(54-48)38-22-13-21-35-34-18-9-12-25-41(34)53-46(35)38)30-26-28-32(29-27-30)44-37-20-8-11-24-40(37)51-49(52-44)33-16-5-2-6-17-33;1-3-14-31(15-4-1)44-47-43(36-19-7-9-22-38(36)49-44)42(46(53-47)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37)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;1-4-15-32(16-5-1)44-47-43(38-22-10-12-25-40(38)48-44)42(46(51-47)39-24-14-23-37-36-21-11-13-26-41(36)50-45(37)39)31-27-29-35(30-28-31)49(33-17-6-2-7-18-33)34-19-8-3-9-20-34;1-2-11-26(12-3-1)38-41-37(30-14-4-6-17-32(30)43-38)36(25-21-23-27(24-22-25)42-44-33-18-7-8-19-34(33)45-42)40(47-41)31-16-10-15-29-28-13-5-9-20-35(28)46-39(29)31;/h1-30H;1-29H;1-29H;1-30H;1-24H;1H2
InChIKeyMBZKZZLXMLRTMT-UHFFFAOYSA-N
MW3545.48 g/mol
LogP66.30
Rot. Bonds26

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-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

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 (PubChem CID 165058861) has the molecular formula C236H144N13O2PS10 and a molecular weight of 3545.48 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;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.

Molecular Properties

Compound Name2-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
PubChem CID165058861
Molecular FormulaC236H144N13O2PS10
Molecular Weight3545.48 g/mol
Exact Mass3541.85
IUPAC Name2-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
SMILESO.c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)sc5c(-c6ccccc6)nc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6o5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1
InChIInChI=1S/C50H30N4S2.C49H29N3S2.C48H29N3S2.C47H30NPS2.C42H24N2OS2.H2O/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;1-3-14-31(15-4-1)45-48-43(36-19-7-10-23-39(36)50-45)42(47(54-48)38-22-13-21-35-34-18-9-12-25-41(34)53-46(35)38)30-26-28-32(29-27-30)44-37-20-8-11-24-40(37)51-49(52-44)33-16-5-2-6-17-33;1-3-14-31(15-4-1)44-47-43(36-19-7-9-22-38(36)49-44)42(46(53-47)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37)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;1-4-15-32(16-5-1)44-47-43(38-22-10-12-25-40(38)48-44)42(46(51-47)39-24-14-23-37-36-21-11-13-26-41(36)50-45(37)39)31-27-29-35(30-28-31)49(33-17-6-2-7-18-33)34-19-8-3-9-20-34;1-2-11-26(12-3-1)38-41-37(30-14-4-6-17-32(30)43-38)36(25-21-23-27(24-22-25)42-44-33-18-7-8-19-34(33)45-42)40(47-41)31-16-10-15-29-28-13-5-9-20-35(28)46-39(29)31;/h1-30H;1-29H;1-29H;1-30H;1-24H;1H2
InChIKeyMBZKZZLXMLRTMT-UHFFFAOYSA-N
XLogP66.30
TPSA204.25 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003545.48
LogP ≤ 566.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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;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?
The IUPAC name 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-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) is 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.
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;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?
The canonical SMILES for 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 is O.c1ccc(-c2nc(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)sc5c(-c6ccccc6)nc6ccccc6c45)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5nc6ccccc6o5)cc4)c(-c4cccc5c4sc4ccccc45)sc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(P(c5ccccc5)c5ccccc5)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;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?
The InChIKey is MBZKZZLXMLRTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2.C49H29N3S2.C48H29N3S2.C47H30NPS2.C42H24N2OS2.H2O/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;1-3-14-31(15-4-1)45-48-43(36-19-7-10-23-39(36)50-45)42(47(54-48)38-22-13-21-35-34-18-9-12-25-41(34)53-46(35)38)30-26-28-32(29-27-30)44-37-20-8-11-24-40(37)51-49(52-44)33-16-5-2-6-17-33;1-3-14-31(15-4-1)44-47-43(36-19-7-9-22-38(36)49-44)42(46(53-47)37-21-13-20-35-34-18-8-12-25-41(34)52-45(35)37)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;1-4-15-32(16-5-1)44-47-43(38-22-10-12-25-40(38)48-44)42(46(51-47)39-24-14-23-37-36-21-11-13-26-41(36)50-45(37)39)31-27-29-35(30-28-31)49(33-17-6-2-7-18-33)34-19-8-3-9-20-34;1-2-11-26(12-3-1)38-41-37(30-14-4-6-17-32(30)43-38)36(25-21-23-27(24-22-25)42-44-33-18-7-8-19-34(33)45-42)40(47-41)31-16-10-15-29-28-13-5-9-20-35(28)46-39(29)31;/h1-30H;1-29H;1-29H;1-30H;1-24H;1H2.
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-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?
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 has a molecular weight of 3545.48 g/mol, XLogP of 66.30, 26 rotatable bonds, 0 hydrogen bond donors, and 24 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;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 is sourced from PubChem (CID 165058861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).