2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine

C31H26BrN3 — CID 140838837

IUPAC2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2Br)c1
InChIInChI=1S/C31H26BrN3/c1-19-13-20(2)15-25(14-19)26-7-5-6-8-27(26)28-11-9-23(17-29(28)32)30-12-10-24(18-33-30)31-34-21(3)16-22(4)35-31/h5-18H,1-4H3
InChIKeyRSKBFDGAXMZFGK-UHFFFAOYSA-N
MW520.47 g/mol
LogP8.54
Rot. Bonds4

About 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine

2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine (PubChem CID 140838837) has the molecular formula C31H26BrN3 and a molecular weight of 520.47 g/mol. Its IUPAC name is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
PubChem CID140838837
Molecular FormulaC31H26BrN3
Molecular Weight520.47 g/mol
Exact Mass519.13
IUPAC Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2Br)c1
InChIInChI=1S/C31H26BrN3/c1-19-13-20(2)15-25(14-19)26-7-5-6-8-27(26)28-11-9-23(17-29(28)32)30-12-10-24(18-33-30)31-34-21(3)16-22(4)35-31/h5-18H,1-4H3
InChIKeyRSKBFDGAXMZFGK-UHFFFAOYSA-N
XLogP8.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 140838956
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838316
2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838472
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridin-2-ylpyridine
CID 153434741
4,6-ditert-butyl-2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 140838867
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;iridium
CID 140838863
2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine
CID 134191435
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
5-[2-[3,5-bis[2-(2-bromo-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-phenylpyrimidine
CID 153434803

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine (CID 140838837) is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(C)cc(C)n4)cn3)cc2Br)c1.
What is the InChIKey of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
The InChIKey is RSKBFDGAXMZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26BrN3/c1-19-13-20(2)15-25(14-19)26-7-5-6-8-27(26)28-11-9-23(17-29(28)32)30-12-10-24(18-33-30)31-34-21(3)16-22(4)35-31/h5-18H,1-4H3.
What are the key properties of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine?
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine has a molecular weight of 520.47 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 140838837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).