8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

C163H103N17S3 — CID 165068687

IUPAC8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
SMILESC.c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccn8)c(-c8ccccn8)sc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1
InChIInChI=1S/C60H37N7S.C57H35N5S.C45H27N5S.CH4/c1-3-12-40(13-4-1)55-54-53(39-28-32-61-33-29-39)56(41-30-34-62-35-31-41)68-57(54)49-37-44(26-27-50(49)63-55)38-22-24-43(25-23-38)59-64-58(42-14-5-2-6-15-42)65-60(66-59)45-16-11-17-46(36-45)67-51-20-9-7-18-47(51)48-19-8-10-21-52(48)67;1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-32-37(26-27-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62;1-3-11-28(12-4-1)34-22-19-30-17-18-31-20-23-35(49-43(31)42(30)48-34)32-21-24-36-33(27-32)44-40(41(50-36)29-13-5-2-6-14-29)39(37-15-7-9-25-46-37)45(51-44)38-16-8-10-26-47-38;/h1-37H;1-35H;1-27H;1H4
InChIKeySJSYGSNFYNETFB-UHFFFAOYSA-N
MW2395.94 g/mol
LogP42.60
Rot. Bonds19

About 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline

8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (PubChem CID 165068687) has the molecular formula C163H103N17S3 and a molecular weight of 2395.94 g/mol. Its IUPAC name is 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
PubChem CID165068687
Molecular FormulaC163H103N17S3
Molecular Weight2395.94 g/mol
Exact Mass2393.77
IUPAC Name8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
SMILESC.c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccn8)c(-c8ccccn8)sc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1
InChIInChI=1S/C60H37N7S.C57H35N5S.C45H27N5S.CH4/c1-3-12-40(13-4-1)55-54-53(39-28-32-61-33-29-39)56(41-30-34-62-35-31-41)68-57(54)49-37-44(26-27-50(49)63-55)38-22-24-43(25-23-38)59-64-58(42-14-5-2-6-15-42)65-60(66-59)45-16-11-17-46(36-45)67-51-20-9-7-18-47(51)48-19-8-10-21-52(48)67;1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-32-37(26-27-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62;1-3-11-28(12-4-1)34-22-19-30-17-18-31-20-23-35(49-43(31)42(30)48-34)32-21-24-36-33(27-32)44-40(41(50-36)29-13-5-2-6-14-29)39(37-15-7-9-25-46-37)45(51-44)38-16-8-10-26-47-38;/h1-37H;1-35H;1-27H;1H4
InChIKeySJSYGSNFYNETFB-UHFFFAOYSA-N
XLogP42.60
TPSA195.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.94
LogP ≤ 542.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline with MolForge

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Related Compounds

8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
CID 165014335
4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline
CID 165096204
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 164716285
7-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;7-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165100373
7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716729
8-(4-diphenylphosphorylphenyl)-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-naphthalen-2-yl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-(2,6-dipyridin-2-yl-4-pyridinyl)-4-phenyl-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-phenyl-7-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 165025862
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-diphenylthieno[3,2-c]quinoline
CID 164716443
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
CID 164716940
4-phenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 164716878
4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716078
8-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-8-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164998302
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716665

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?
The IUPAC name of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline (CID 165068687) is 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline.
What is the SMILES notation for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?
The canonical SMILES for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is C.c1ccc(-c2ccc3ccc4ccc(-c5ccc6nc(-c7ccccc7)c7c(-c8ccccn8)c(-c8ccccn8)sc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1.
What is the InChIKey of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?
The InChIKey is SJSYGSNFYNETFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7S.C57H35N5S.C45H27N5S.CH4/c1-3-12-40(13-4-1)55-54-53(39-28-32-61-33-29-39)56(41-30-34-62-35-31-41)68-57(54)49-37-44(26-27-50(49)63-55)38-22-24-43(25-23-38)59-64-58(42-14-5-2-6-15-42)65-60(66-59)45-16-11-17-46(36-45)67-51-20-9-7-18-47(51)48-19-8-10-21-52(48)67;1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-32-37(26-27-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62;1-3-11-28(12-4-1)34-22-19-30-17-18-31-20-23-35(49-43(31)42(30)48-34)32-21-24-36-33(27-32)44-40(41(50-36)29-13-5-2-6-14-29)39(37-15-7-9-25-46-37)45(51-44)38-16-8-10-26-47-38;/h1-37H;1-35H;1-27H;1H4.
What are the key properties of 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline?
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline has a molecular weight of 2395.94 g/mol, XLogP of 42.60, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 165068687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).