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

C43H29N5O — CID 155049877

IUPAC2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C43H29N5O/c1-5-16-30(17-6-1)37-29-38(31-18-7-2-8-19-31)45-43(44-37)36-26-13-14-27-39(36)49-35-25-15-24-34(28-35)42-47-40(32-20-9-3-10-21-32)46-41(48-42)33-22-11-4-12-23-33/h1-29H
InChIKeyPWLQCMRKSANUMI-UHFFFAOYSA-N
MW631.74 g/mol
LogP10.46
Rot. Bonds8

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

2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155049877) has the molecular formula C43H29N5O and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155049877
Molecular FormulaC43H29N5O
Molecular Weight631.74 g/mol
Exact Mass631.24
IUPAC Name2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C43H29N5O/c1-5-16-30(17-6-1)37-29-38(31-18-7-2-8-19-31)45-43(44-37)36-26-13-14-27-39(36)49-35-25-15-24-34(28-35)42-47-40(32-20-9-3-10-21-32)46-41(48-42)33-22-11-4-12-23-33/h1-29H
InChIKeyPWLQCMRKSANUMI-UHFFFAOYSA-N
XLogP10.46
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157416880
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995
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-[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;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-[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-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
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-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 155049877) is 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PWLQCMRKSANUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5O/c1-5-16-30(17-6-1)37-29-38(31-18-7-2-8-19-31)45-43(44-37)36-26-13-14-27-39(36)49-35-25-15-24-34(28-35)42-47-40(32-20-9-3-10-21-32)46-41(48-42)33-22-11-4-12-23-33/h1-29H.
What are the key properties of 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4,6-diphenylpyrimidin-2-yl)phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155049877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).