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

C48H32N4 — CID 146187315

IUPAC8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-5-16-33(17-6-1)39-26-14-27-41(44(39)34-18-7-2-8-19-34)40-30-29-38(32-43(40)42-28-13-24-35-25-15-31-49-45(35)42)48-51-46(36-20-9-3-10-21-36)50-47(52-48)37-22-11-4-12-23-37/h1-32H
InChIKeyYIWYIJLSMKSQKP-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.09
Rot. Bonds7

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

8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (PubChem CID 146187315) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
PubChem CID146187315
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1
InChIInChI=1S/C48H32N4/c1-5-16-33(17-6-1)39-26-14-27-41(44(39)34-18-7-2-8-19-34)40-30-29-38(32-43(40)42-28-13-24-35-25-15-31-49-45(35)42)48-51-46(36-20-9-3-10-21-36)50-47(52-48)37-22-11-4-12-23-37/h1-32H
InChIKeyYIWYIJLSMKSQKP-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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
CID 146190609
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
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
8-[4-[4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648989
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The IUPAC name of 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline (CID 146187315) is 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline.
What is the SMILES notation for 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The canonical SMILES for 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)c(-c4cccc5cccnc45)c3)n2)cc1.
What is the InChIKey of 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
The InChIKey is YIWYIJLSMKSQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-5-16-33(17-6-1)39-26-14-27-41(44(39)34-18-7-2-8-19-34)40-30-29-38(32-43(40)42-28-13-24-35-25-15-31-49-45(35)42)48-51-46(36-20-9-3-10-21-36)50-47(52-48)37-22-11-4-12-23-37/h1-32H.
What are the key properties of 8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline?
8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)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-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline is sourced from PubChem (CID 146187315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).