2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline

C163H105N11S3 — CID 165093225

IUPAC2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C57H37N3S.C56H36N4S.C50H32N4S/c1-5-15-38(16-6-1)40-25-29-42(30-26-40)50-37-51(60-57(59-50)47-35-27-41(28-36-47)39-17-7-2-8-18-39)43-31-33-46(34-32-43)55-52(44-19-9-3-10-20-44)53-54(45-21-11-4-12-22-45)58-49-24-14-13-23-48(49)56(53)61-55;1-5-17-37(18-6-1)43-25-15-27-45(35-43)55-58-54(59-56(60-55)46-28-16-26-44(36-46)38-19-7-2-8-20-38)42-33-31-41(32-34-42)52-49(39-21-9-3-10-22-39)50-51(40-23-11-4-12-24-40)57-48-30-14-13-29-47(48)53(50)61-52;1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)46-43(35-18-7-2-8-19-35)44-45(36-20-9-3-10-21-36)51-42-27-14-13-26-41(42)47(44)55-46/h1-37H;1-36H;1-32H
InChIKeyXBLISPYLXWIBRF-UHFFFAOYSA-N
MW2313.91 g/mol
LogP43.85
Rot. Bonds23

About 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline

2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 165093225) has the molecular formula C163H105N11S3 and a molecular weight of 2313.91 g/mol. Its IUPAC name is 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.

Molecular Properties

Compound Name2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
PubChem CID165093225
Molecular FormulaC163H105N11S3
Molecular Weight2313.91 g/mol
Exact Mass2311.77
IUPAC Name2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C57H37N3S.C56H36N4S.C50H32N4S/c1-5-15-38(16-6-1)40-25-29-42(30-26-40)50-37-51(60-57(59-50)47-35-27-41(28-36-47)39-17-7-2-8-18-39)43-31-33-46(34-32-43)55-52(44-19-9-3-10-20-44)53-54(45-21-11-4-12-22-45)58-49-24-14-13-23-48(49)56(53)61-55;1-5-17-37(18-6-1)43-25-15-27-45(35-43)55-58-54(59-56(60-55)46-28-16-26-44(36-46)38-19-7-2-8-20-38)42-33-31-41(32-34-42)52-49(39-21-9-3-10-22-39)50-51(40-23-11-4-12-24-40)57-48-30-14-13-29-47(48)53(50)61-52;1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)46-43(35-18-7-2-8-19-35)44-45(36-20-9-3-10-21-36)51-42-27-14-13-26-41(42)47(44)55-46/h1-37H;1-36H;1-32H
InChIKeyXBLISPYLXWIBRF-UHFFFAOYSA-N
XLogP43.85
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002313.91
LogP ≤ 543.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline with MolForge

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Related Compounds

2-(3,5-diphenylphenyl)-3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline;2-(3,5-diphenylphenyl)-3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylthieno[3,2-c]quinoline
CID 165029552
2,4-diphenyl-3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline;3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylthieno[3,2-c]quinoline;3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenylthieno[3,2-c]quinoline
CID 165020295
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)thieno[3,2-c]quinoline;4-phenyl-2-(3-phenylphenyl)-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164971665
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716114
4-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716711
4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
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
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
CID 164716009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The IUPAC name of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline (CID 165093225) is 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline.
What is the SMILES notation for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The canonical SMILES for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5sc6c(c(-c7ccccc7)nc7ccccc76)c5-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
The InChIKey is XBLISPYLXWIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3S.C56H36N4S.C50H32N4S/c1-5-15-38(16-6-1)40-25-29-42(30-26-40)50-37-51(60-57(59-50)47-35-27-41(28-36-47)39-17-7-2-8-18-39)43-31-33-46(34-32-43)55-52(44-19-9-3-10-20-44)53-54(45-21-11-4-12-22-45)58-49-24-14-13-23-48(49)56(53)61-55;1-5-17-37(18-6-1)43-25-15-27-45(35-43)55-58-54(59-56(60-55)46-28-16-26-44(36-46)38-19-7-2-8-20-38)42-33-31-41(32-34-42)52-49(39-21-9-3-10-22-39)50-51(40-23-11-4-12-24-40)57-48-30-14-13-29-47(48)53(50)61-52;1-5-16-33(17-6-1)34-28-30-38(31-29-34)49-52-48(37-22-11-4-12-23-37)53-50(54-49)40-25-15-24-39(32-40)46-43(35-18-7-2-8-19-35)44-45(36-20-9-3-10-21-36)51-42-27-14-13-26-41(42)47(44)55-46/h1-37H;1-36H;1-32H.
What are the key properties of 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline?
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline has a molecular weight of 2313.91 g/mol, XLogP of 43.85, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline;3,4-diphenyl-2-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline is sourced from PubChem (CID 165093225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).