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

C34H26N4 — CID 139456017

IUPAC2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
SMILESCNc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C34H26N4/c1-35-31-15-9-8-14-30(31)26-20-16-24(17-21-26)25-18-22-29(23-19-25)34-37-32(27-10-4-2-5-11-27)36-33(38-34)28-12-6-3-7-13-28/h2-23,35H,1H3
InChIKeyQXHDQJDYPFQCRM-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.25
Rot. Bonds6

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

2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline (PubChem CID 139456017) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
PubChem CID139456017
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
SMILESCNc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C34H26N4/c1-35-31-15-9-8-14-30(31)26-20-16-24(17-21-26)25-18-22-29(23-19-25)34-37-32(27-10-4-2-5-11-27)36-33(38-34)28-12-6-3-7-13-28/h2-23,35H,1H3
InChIKeyQXHDQJDYPFQCRM-UHFFFAOYSA-N
XLogP8.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
CID 164943595
CID 164943595

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline (CID 139456017) is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline.
What is the SMILES notation for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline is CNc1ccccc1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline?
The InChIKey is QXHDQJDYPFQCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-35-31-15-9-8-14-30(31)26-20-16-24(17-21-26)25-18-22-29(23-19-25)34-37-32(27-10-4-2-5-11-27)36-33(38-34)28-12-6-3-7-13-28/h2-23,35H,1H3.
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline?
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline has a molecular weight of 490.61 g/mol, XLogP of 8.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline is sourced from PubChem (CID 139456017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).