7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline

C39H25N5 — CID 118582329

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cccnc5c4)cc(-c4ccc5cccnc5c4)c3)n2)cc1
InChIInChI=1S/C39H25N5/c1-3-9-28(10-4-1)37-42-38(29-11-5-2-6-12-29)44-39(43-37)34-22-32(30-17-15-26-13-7-19-40-35(26)24-30)21-33(23-34)31-18-16-27-14-8-20-41-36(27)25-31/h1-25H
InChIKeyVTMULFRFAQAAGV-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.30
Rot. Bonds5

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline (PubChem CID 118582329) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
PubChem CID118582329
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cccnc5c4)cc(-c4ccc5cccnc5c4)c3)n2)cc1
InChIInChI=1S/C39H25N5/c1-3-9-28(10-4-1)37-42-38(29-11-5-2-6-12-29)44-39(43-37)34-22-32(30-17-15-26-13-7-19-40-35(26)24-30)21-33(23-34)31-18-16-27-14-8-20-41-36(27)25-31/h1-25H
InChIKeyVTMULFRFAQAAGV-UHFFFAOYSA-N
XLogP9.30
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
CID 122415943
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318
2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 159939622
7-[4-[3,8-diphenyl-6-(4-phenyl-6-quinolin-7-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 146230629
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
3-quinolin-7-ylbenzoic acid
CID 81224892
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
CID 118372291
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
4-quinolin-7-ylbenzoic acid
CID 81224662

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline (CID 118582329) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5cccnc5c4)cc(-c4ccc5cccnc5c4)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline?
The InChIKey is VTMULFRFAQAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-3-9-28(10-4-1)37-42-38(29-11-5-2-6-12-29)44-39(43-37)34-22-32(30-17-15-26-13-7-19-40-35(26)24-30)21-33(23-34)31-18-16-27-14-8-20-41-36(27)25-31/h1-25H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline has a molecular weight of 563.66 g/mol, XLogP of 9.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline is sourced from PubChem (CID 118582329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).