8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline

C51H33N3S — CID 164716009

IUPAC8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)c(-c7ccccc7)sc6c5c4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3S/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)50-47(48(52-43)38-20-10-3-11-21-38)46(37-18-8-2-9-19-37)49(55-50)39-22-12-4-13-23-39/h1-33H
InChIKeyXZTARPWVCTXTSP-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.91
Rot. Bonds7

About 8-[4-(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 (PubChem CID 164716009) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
PubChem CID164716009
Molecular FormulaC51H33N3S
Molecular Weight719.91 g/mol
Exact Mass719.24
IUPAC Name8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)c(-c7ccccc7)sc6c5c4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3S/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)50-47(48(52-43)38-20-10-3-11-21-38)46(37-18-8-2-9-19-37)49(55-50)39-22-12-4-13-23-39/h1-33H
InChIKeyXZTARPWVCTXTSP-UHFFFAOYSA-N
XLogP13.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
CID 164716105
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
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-[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
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-phenyl-2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716121
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-[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
2-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 157135780
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716116

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline?
The IUPAC name of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline (CID 164716009) is 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline.
What is the SMILES notation for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline?
The canonical SMILES for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6c(-c7ccccc7)c(-c7ccccc7)sc6c5c4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline?
The InChIKey is XZTARPWVCTXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/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)50-47(48(52-43)38-20-10-3-11-21-38)46(37-18-8-2-9-19-37)49(55-50)39-22-12-4-13-23-39/h1-33H.
What are the key properties of 8-[4-(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 has a molecular weight of 719.91 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).