4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine

C32H24N6 — CID 139472451

IUPAC4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(N)n4)c3)c2)n1
InChIInChI=1S/C32H24N6/c1-21-34-30(23-12-6-3-7-13-23)38-31(35-21)27-17-9-15-25(19-27)24-14-8-16-26(18-24)29-20-28(36-32(33)37-29)22-10-4-2-5-11-22/h2-20H,1H3,(H2,33,36,37)
InChIKeyNJRFYPHUNOALGB-UHFFFAOYSA-N
MW492.59 g/mol
LogP6.89
Rot. Bonds5

About 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine

4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine (PubChem CID 139472451) has the molecular formula C32H24N6 and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine
PubChem CID139472451
Molecular FormulaC32H24N6
Molecular Weight492.59 g/mol
Exact Mass492.21
IUPAC Name4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(N)n4)c3)c2)n1
InChIInChI=1S/C32H24N6/c1-21-34-30(23-12-6-3-7-13-23)38-31(35-21)27-17-9-15-25(19-27)24-14-8-16-26(18-24)29-20-28(36-32(33)37-29)22-10-4-2-5-11-22/h2-20H,1H3,(H2,33,36,37)
InChIKeyNJRFYPHUNOALGB-UHFFFAOYSA-N
XLogP6.89
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
4-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163795060
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine (CID 139472451) is 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine is Cc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(N)n4)c3)c2)n1.
What is the InChIKey of 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine?
The InChIKey is NJRFYPHUNOALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6/c1-21-34-30(23-12-6-3-7-13-23)38-31(35-21)27-17-9-15-25(19-27)24-14-8-16-26(18-24)29-20-28(36-32(33)37-29)22-10-4-2-5-11-22/h2-20H,1H3,(H2,33,36,37).
What are the key properties of 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine?
4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine has a molecular weight of 492.59 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 139472451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).