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

C37H25N5 — CID 129099147

IUPAC2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C37H25N5/c1-5-15-26(16-6-1)32-25-33(27-17-7-2-8-18-27)39-36(38-32)30-23-13-14-24-31(30)37-41-34(28-19-9-3-10-20-28)40-35(42-37)29-21-11-4-12-22-29/h1-25H
InChIKeyOKHNODYOGUXISK-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.66
Rot. Bonds6

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

2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 129099147) has the molecular formula C37H25N5 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID129099147
Molecular FormulaC37H25N5
Molecular Weight539.64 g/mol
Exact Mass539.21
IUPAC Name2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C37H25N5/c1-5-15-26(16-6-1)32-25-33(27-17-7-2-8-18-27)39-36(38-32)30-23-13-14-24-31(30)37-41-34(28-19-9-3-10-20-28)40-35(42-37)29-21-11-4-12-22-29/h1-25H
InChIKeyOKHNODYOGUXISK-UHFFFAOYSA-N
XLogP8.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 171832621
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 129099147) is 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OKHNODYOGUXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5/c1-5-15-26(16-6-1)32-25-33(27-17-7-2-8-18-27)39-36(38-32)30-23-13-14-24-31(30)37-41-34(28-19-9-3-10-20-28)40-35(42-37)29-21-11-4-12-22-29/h1-25H.
What are the key properties of 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 539.64 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129099147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).