8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline

C48H32N4 — CID 146190609

IUPAC8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-4-16-33(17-5-1)38-24-10-11-25-39(38)40-26-12-13-27-41(40)42-30-29-37(32-44(42)43-28-14-22-34-23-15-31-49-45(34)43)48-51-46(35-18-6-2-7-19-35)50-47(52-48)36-20-8-3-9-21-36/h1-32H
InChIKeyUSGUGUOTBHMSTF-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.09
Rot. Bonds7

About 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline

8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline (PubChem CID 146190609) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
PubChem CID146190609
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-4-16-33(17-5-1)38-24-10-11-25-39(38)40-26-12-13-27-41(40)42-30-29-37(32-44(42)43-28-14-22-34-23-15-31-49-45(34)43)48-51-46(35-18-6-2-7-19-35)50-47(52-48)36-20-8-3-9-21-36/h1-32H
InChIKeyUSGUGUOTBHMSTF-UHFFFAOYSA-N
XLogP12.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 146187315
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509

Frequently Asked Questions

What is the IUPAC name of 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline?
The IUPAC name of 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline (CID 146190609) is 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline?
The canonical SMILES for 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1.
What is the InChIKey of 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline?
The InChIKey is USGUGUOTBHMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-4-16-33(17-5-1)38-24-10-11-25-39(38)40-26-12-13-27-41(40)42-30-29-37(32-44(42)43-28-14-22-34-23-15-31-49-45(34)43)48-51-46(35-18-6-2-7-19-35)50-47(52-48)36-20-8-3-9-21-36/h1-32H.
What are the key properties of 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline?
8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline has a molecular weight of 664.81 g/mol, XLogP of 12.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 146190609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).