2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine

C37H27N5 — CID 163727041

IUPAC2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC(c2ccccc2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C37H27N5/c1-5-14-26(15-6-1)30-22-13-23-31(24-30)32-25-33(39-34(38-32)27-16-7-2-8-17-27)37-41-35(28-18-9-3-10-19-28)40-36(42-37)29-20-11-4-12-21-29/h1-25,32H,(H,38,39)
InChIKeyKWMHFLRETJOWLG-UHFFFAOYSA-N
MW541.66 g/mol
LogP8.00
Rot. Bonds6

About 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine

2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine (PubChem CID 163727041) has the molecular formula C37H27N5 and a molecular weight of 541.66 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
PubChem CID163727041
Molecular FormulaC37H27N5
Molecular Weight541.66 g/mol
Exact Mass541.23
IUPAC Name2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC(c2ccccc2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C37H27N5/c1-5-14-26(15-6-1)30-22-13-23-31(24-30)32-25-33(39-34(38-32)27-16-7-2-8-17-27)37-41-35(28-18-9-3-10-19-28)40-36(42-37)29-20-11-4-12-21-29/h1-25,32H,(H,38,39)
InChIKeyKWMHFLRETJOWLG-UHFFFAOYSA-N
XLogP8.00
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.66
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 121477675
N'-(4,6-diphenylpyrimidin-2-yl)-1-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]methanediamine
CID 145390184
2-[2-[4-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 135247214
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine (CID 163727041) is 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine is C1=C(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC(c2ccccc2)=NC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine?
The InChIKey is KWMHFLRETJOWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N5/c1-5-14-26(15-6-1)30-22-13-23-31(24-30)32-25-33(39-34(38-32)27-16-7-2-8-17-27)37-41-35(28-18-9-3-10-19-28)40-36(42-37)29-20-11-4-12-21-29/h1-25,32H,(H,38,39).
What are the key properties of 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine?
2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine has a molecular weight of 541.66 g/mol, XLogP of 8.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine is sourced from PubChem (CID 163727041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).