8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline

C68H48N8 — CID 158816777

IUPAC8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline
SMILESCc1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2n1
InChIInChI=1S/C37H26N4.C31H22N4/c1-25-23-31-15-8-9-18-33(31)34(38-25)27-21-19-26(20-22-27)30-16-10-17-32(24-30)37-40-35(28-11-4-2-5-12-28)39-36(41-37)29-13-6-3-7-14-29;1-21-15-16-23-13-8-14-27(28(23)32-21)22-17-19-26(20-18-22)31-34-29(24-9-4-2-5-10-24)33-30(35-31)25-11-6-3-7-12-25/h2-24H,1H3;2-20H,1H3
InChIKeyIVJGHJHXKQBAFG-UHFFFAOYSA-N
MW977.19 g/mol
LogP16.46
Rot. Bonds9

About 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline (PubChem CID 158816777) has the molecular formula C68H48N8 and a molecular weight of 977.19 g/mol. Its IUPAC name is 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline.

Molecular Properties

Compound Name8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline
PubChem CID158816777
Molecular FormulaC68H48N8
Molecular Weight977.19 g/mol
Exact Mass976.40
IUPAC Name8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline
SMILESCc1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2n1
InChIInChI=1S/C37H26N4.C31H22N4/c1-25-23-31-15-8-9-18-33(31)34(38-25)27-21-19-26(20-22-27)30-16-10-17-32(24-30)37-40-35(28-11-4-2-5-12-28)39-36(41-37)29-13-6-3-7-14-29;1-21-15-16-23-13-8-14-27(28(23)32-21)22-17-19-26(20-18-22)31-34-29(24-9-4-2-5-10-24)33-30(35-31)25-11-6-3-7-12-25/h2-24H,1H3;2-20H,1H3
InChIKeyIVJGHJHXKQBAFG-UHFFFAOYSA-N
XLogP16.46
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.19
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline with MolForge

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Related Compounds

6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline
CID 162018501
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline?
The IUPAC name of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline (CID 158816777) is 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline.
What is the SMILES notation for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline?
The canonical SMILES for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline is Cc1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2n1.
What is the InChIKey of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline?
The InChIKey is IVJGHJHXKQBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4.C31H22N4/c1-25-23-31-15-8-9-18-33(31)34(38-25)27-21-19-26(20-22-27)30-16-10-17-32(24-30)37-40-35(28-11-4-2-5-12-28)39-36(41-37)29-13-6-3-7-14-29;1-21-15-16-23-13-8-14-27(28(23)32-21)22-17-19-26(20-18-22)31-34-29(24-9-4-2-5-10-24)33-30(35-31)25-11-6-3-7-12-25/h2-24H,1H3;2-20H,1H3.
What are the key properties of 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline?
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline has a molecular weight of 977.19 g/mol, XLogP of 16.46, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline is sourced from PubChem (CID 158816777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).