8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline

C101H65N7S2 — CID 165037696

IUPAC8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)n2)cc1
InChIInChI=1S/C51H33N3S.C50H32N4S/c1-6-16-35(17-7-1)44-33-45(54-51(53-44)40-24-14-5-15-25-40)36-28-26-34(27-29-36)41-30-31-43-42(32-41)47-46(37-18-8-2-9-19-37)49(39-22-12-4-13-23-39)55-50(47)48(52-43)38-20-10-3-11-21-38;1-6-16-34(17-7-1)43-44-41-32-40(30-31-42(41)51-45(35-18-8-2-9-19-35)47(44)55-46(43)36-20-10-3-11-21-36)33-26-28-39(29-27-33)50-53-48(37-22-12-4-13-23-37)52-49(54-50)38-24-14-5-15-25-38/h1-33H;1-32H
InChIKeyNQHAHOYOTSLDHK-UHFFFAOYSA-N
MW1440.81 g/mol
LogP27.21
Rot. Bonds14

About 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline

8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline (PubChem CID 165037696) has the molecular formula C101H65N7S2 and a molecular weight of 1440.81 g/mol. Its IUPAC name is 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline.

Molecular Properties

Compound Name8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
PubChem CID165037696
Molecular FormulaC101H65N7S2
Molecular Weight1440.81 g/mol
Exact Mass1439.47
IUPAC Name8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)n2)cc1
InChIInChI=1S/C51H33N3S.C50H32N4S/c1-6-16-35(17-7-1)44-33-45(54-51(53-44)40-24-14-5-15-25-40)36-28-26-34(27-29-36)41-30-31-43-42(32-41)47-46(37-18-8-2-9-19-37)49(39-22-12-4-13-23-39)55-50(47)48(52-43)38-20-10-3-11-21-38;1-6-16-34(17-7-1)43-44-41-32-40(30-31-42(41)51-45(35-18-8-2-9-19-35)47(44)55-46(43)36-20-10-3-11-21-36)33-26-28-39(29-27-33)50-53-48(37-22-12-4-13-23-37)52-49(54-50)38-24-14-5-15-25-38/h1-33H;1-32H
InChIKeyNQHAHOYOTSLDHK-UHFFFAOYSA-N
XLogP27.21
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001440.81
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline with MolForge

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Related Compounds

8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
CID 164716009
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-(3,5-diphenylphenyl)-1-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716410
2-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,4-diphenylthieno[2,3-c]quinoline
CID 164716151
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
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
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-1-triphenylen-2-ylthieno[2,3-c]quinoline
CID 164716452
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-(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
4-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716843
2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline?
The IUPAC name of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline (CID 165037696) is 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline.
What is the SMILES notation for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline?
The canonical SMILES for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6sc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)n2)cc1.
What is the InChIKey of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline?
The InChIKey is NQHAHOYOTSLDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S.C50H32N4S/c1-6-16-35(17-7-1)44-33-45(54-51(53-44)40-24-14-5-15-25-40)36-28-26-34(27-29-36)41-30-31-43-42(32-41)47-46(37-18-8-2-9-19-37)49(39-22-12-4-13-23-39)55-50(47)48(52-43)38-20-10-3-11-21-38;1-6-16-34(17-7-1)43-44-41-32-40(30-31-42(41)51-45(35-18-8-2-9-19-35)47(44)55-46(43)36-20-10-3-11-21-36)33-26-28-39(29-27-33)50-53-48(37-22-12-4-13-23-37)52-49(54-50)38-24-14-5-15-25-38/h1-33H;1-32H.
What are the key properties of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline?
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline has a molecular weight of 1440.81 g/mol, XLogP of 27.21, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline;8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,4-triphenylthieno[2,3-c]quinoline is sourced from PubChem (CID 165037696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).