2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline

C51H33N3S — CID 164716105

IUPAC2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3S/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-39(32-30-37)48-47-46(38-17-7-2-8-18-38)49(40-19-9-3-10-20-40)55-50(47)42-23-13-14-24-43(42)52-48/h1-33H
InChIKeyYCLOAJSGMNWDOF-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.91
Rot. Bonds7

About 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline

2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline (PubChem CID 164716105) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline.

Molecular Properties

Compound Name2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
PubChem CID164716105
Molecular FormulaC51H33N3S
Molecular Weight719.91 g/mol
Exact Mass719.24
IUPAC Name2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C51H33N3S/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-39(32-30-37)48-47-46(38-17-7-2-8-18-38)49(40-19-9-3-10-20-40)55-50(47)42-23-13-14-24-43(42)52-48/h1-33H
InChIKeyYCLOAJSGMNWDOF-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

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
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
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(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
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-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-phenyl-2-triphenylen-2-ylthieno[3,2-c]quinoline
CID 164716116
2-(3,5-diphenylphenyl)-1-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenylthieno[2,3-c]quinoline
CID 164716410
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

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline?
The IUPAC name of 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline (CID 164716105) is 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline.
What is the SMILES notation for 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline?
The canonical SMILES for 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6sc(-c7ccccc7)c(-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline?
The InChIKey is YCLOAJSGMNWDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/c1-5-15-34(16-6-1)35-25-27-36(28-26-35)44-33-45(54-51(53-44)41-21-11-4-12-22-41)37-29-31-39(32-30-37)48-47-46(38-17-7-2-8-18-38)49(40-19-9-3-10-20-40)55-50(47)42-23-13-14-24-43(42)52-48/h1-33H.
What are the key properties of 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline?
2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[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 2,3-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]quinoline is sourced from PubChem (CID 164716105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).