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

C35H23N5 — CID 170652153

IUPAC2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6n5)n4)cc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-3-11-26(12-4-1)33-38-34(27-13-5-2-6-14-27)40-35(39-33)28-20-18-25(19-21-28)30-16-9-17-31(36-30)32-23-22-24-10-7-8-15-29(24)37-32/h1-23H
InChIKeyLQQDRXZIRYXYHS-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.15
Rot. Bonds5

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

2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline (PubChem CID 170652153) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
PubChem CID170652153
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6n5)n4)cc3)n2)cc1
InChIInChI=1S/C35H23N5/c1-3-11-26(12-4-1)33-38-34(27-13-5-2-6-14-27)40-35(39-33)28-20-18-25(19-21-28)30-16-9-17-31(36-30)32-23-22-24-10-7-8-15-29(24)37-32/h1-23H
InChIKeyLQQDRXZIRYXYHS-UHFFFAOYSA-N
XLogP8.15
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
iridium;tris(2-phenylquinoline)
CID 122129463
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455
dichloroplatinum;2-phenylquinoline
CID 175341425
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-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
2-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-7-yl]quinolin-7-yl]-9-phenyl-1,10-phenanthroline;2-naphthalen-2-yl-9-[2-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-7-yl]-1,10-phenanthroline
CID 165089373
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]quinoline
CID 163580996
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline?
The IUPAC name of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline (CID 170652153) is 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline.
What is the SMILES notation for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline?
The canonical SMILES for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6ccccc6n5)n4)cc3)n2)cc1.
What is the InChIKey of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline?
The InChIKey is LQQDRXZIRYXYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-3-11-26(12-4-1)33-38-34(27-13-5-2-6-14-27)40-35(39-33)28-20-18-25(19-21-28)30-16-9-17-31(36-30)32-23-22-24-10-7-8-15-29(24)37-32/h1-23H.
What are the key properties of 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline?
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline has a molecular weight of 513.60 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline is sourced from PubChem (CID 170652153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).