2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline

C44H28N4S — CID 164716114

IUPAC2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4sc5c(c(-c6ccccc6)nc6ccccc65)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C44H28N4S/c1-5-16-29(17-6-1)37-38-39(30-18-7-2-8-19-30)45-36-27-14-13-26-35(36)41(38)49-40(37)33-24-15-25-34(28-33)44-47-42(31-20-9-3-10-21-31)46-43(48-44)32-22-11-4-12-23-32/h1-28H
InChIKeyQKMYSUMSCGWXRX-UHFFFAOYSA-N
MW644.80 g/mol
LogP11.64
Rot. Bonds6

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

2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline (PubChem CID 164716114) has the molecular formula C44H28N4S and a molecular weight of 644.80 g/mol. Its IUPAC name is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
PubChem CID164716114
Molecular FormulaC44H28N4S
Molecular Weight644.80 g/mol
Exact Mass644.20
IUPAC Name2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4sc5c(c(-c6ccccc6)nc6ccccc65)c4-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C44H28N4S/c1-5-16-29(17-6-1)37-38-39(30-18-7-2-8-19-30)45-36-27-14-13-26-35(36)41(38)49-40(37)33-24-15-25-34(28-33)44-47-42(31-20-9-3-10-21-31)46-43(48-44)32-22-11-4-12-23-32/h1-28H
InChIKeyQKMYSUMSCGWXRX-UHFFFAOYSA-N
XLogP11.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylthieno[3,2-c]quinoline
CID 164716651
2,4-diphenyl-3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716782
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
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
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-4-phenylthieno[3,2-c]quinoline
CID 155033256
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
2,3-diphenyl-4-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 164716451
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-[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
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 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline?
The IUPAC name of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline (CID 164716114) is 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline.
What is the SMILES notation for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline?
The canonical SMILES for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4sc5c(c(-c6ccccc6)nc6ccccc65)c4-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline?
The InChIKey is QKMYSUMSCGWXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4S/c1-5-16-29(17-6-1)37-38-39(30-18-7-2-8-19-30)45-36-27-14-13-26-35(36)41(38)49-40(37)33-24-15-25-34(28-33)44-47-42(31-20-9-3-10-21-31)46-43(48-44)32-22-11-4-12-23-32/h1-28H.
What are the key properties of 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline?
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline has a molecular weight of 644.80 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,4-diphenylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).