2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

C43H31N7 — CID 58382636

IUPAC2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H31N7/c1-28-5-9-34(10-6-28)41-48-42(35-11-7-29(2)8-12-35)50-43(49-41)38-26-36(30-13-17-32(18-14-30)39-44-21-3-22-45-39)25-37(27-38)31-15-19-33(20-16-31)40-46-23-4-24-47-40/h3-27H,1-2H3
InChIKeyQOGBQMQBJFFHRB-UHFFFAOYSA-N
MW645.77 g/mol
LogP9.74
Rot. Bonds7

About 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 58382636) has the molecular formula C43H31N7 and a molecular weight of 645.77 g/mol. Its IUPAC name is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID58382636
Molecular FormulaC43H31N7
Molecular Weight645.77 g/mol
Exact Mass645.26
IUPAC Name2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1
InChIInChI=1S/C43H31N7/c1-28-5-9-34(10-6-28)41-48-42(35-11-7-29(2)8-12-35)50-43(49-41)38-26-36(30-13-17-32(18-14-30)39-44-21-3-22-45-39)25-37(27-38)31-15-19-33(20-16-31)40-46-23-4-24-47-40/h3-27H,1-2H3
InChIKeyQOGBQMQBJFFHRB-UHFFFAOYSA-N
XLogP9.74
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.77
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58382639
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159273767
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
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-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 58382636) is 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cc(-c4ccc(-c5ncccn5)cc4)cc(-c4ccc(-c5ncccn5)cc4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is QOGBQMQBJFFHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N7/c1-28-5-9-34(10-6-28)41-48-42(35-11-7-29(2)8-12-35)50-43(49-41)38-26-36(30-13-17-32(18-14-30)39-44-21-3-22-45-39)25-37(27-38)31-15-19-33(20-16-31)40-46-23-4-24-47-40/h3-27H,1-2H3.
What are the key properties of 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 645.77 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).