2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

C44H28N6 — CID 122427220

IUPAC2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6n5)cc4)nc(-c4ccc(-c5ccc6ccccc6n5)cc4)n3)cc2)nc1
InChIInChI=1S/C44H28N6/c1-3-10-38-29(7-1)24-26-40(46-38)32-14-20-35(21-15-32)43-48-42(34-18-12-31(13-19-34)37-9-5-6-28-45-37)49-44(50-43)36-22-16-33(17-23-36)41-27-25-30-8-2-4-11-39(30)47-41/h1-28H
InChIKeyZZOKEEIQIIBVGE-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.36
Rot. Bonds6

About 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 122427220) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID122427220
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6n5)cc4)nc(-c4ccc(-c5ccc6ccccc6n5)cc4)n3)cc2)nc1
InChIInChI=1S/C44H28N6/c1-3-10-38-29(7-1)24-26-40(46-38)32-14-20-35(21-15-32)43-48-42(34-18-12-31(13-19-34)37-9-5-6-28-45-37)49-44(50-43)36-22-16-33(17-23-36)41-27-25-30-8-2-4-11-39(30)47-41/h1-28H
InChIKeyZZOKEEIQIIBVGE-UHFFFAOYSA-N
XLogP10.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
CID 58382612
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 122427220) is 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6ccccc6n5)cc4)nc(-c4ccc(-c5ccc6ccccc6n5)cc4)n3)cc2)nc1.
What is the InChIKey of 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is ZZOKEEIQIIBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-10-38-29(7-1)24-26-40(46-38)32-14-20-35(21-15-32)43-48-42(34-18-12-31(13-19-34)37-9-5-6-28-45-37)49-44(50-43)36-22-16-33(17-23-36)41-27-25-30-8-2-4-11-39(30)47-41/h1-28H.
What are the key properties of 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 640.75 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 122427220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).