2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C48H33BrN4 — CID 140838956

IUPAC2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2Br)c1
InChIInChI=1S/C48H33BrN4/c1-30-23-31(2)25-40(24-30)41-13-7-8-14-42(41)43-21-19-36(28-44(43)49)45-22-20-39(29-50-45)48-52-46(37-17-15-32-9-3-5-11-34(32)26-37)51-47(53-48)38-18-16-33-10-4-6-12-35(33)27-38/h3-29H,1-2H3
InChIKeyWPHNBXPHVMUPET-UHFFFAOYSA-N
MW745.72 g/mol
LogP12.95
Rot. Bonds6

About 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 140838956) has the molecular formula C48H33BrN4 and a molecular weight of 745.72 g/mol. Its IUPAC name is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID140838956
Molecular FormulaC48H33BrN4
Molecular Weight745.72 g/mol
Exact Mass744.19
IUPAC Name2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2Br)c1
InChIInChI=1S/C48H33BrN4/c1-30-23-31(2)25-40(24-30)41-13-7-8-14-42(41)43-21-19-36(28-44(43)49)45-22-20-39(29-50-45)48-52-46(37-17-15-32-9-3-5-11-34(32)26-37)51-47(53-48)38-18-16-33-10-4-6-12-35(33)27-38/h3-29H,1-2H3
InChIKeyWPHNBXPHVMUPET-UHFFFAOYSA-N
XLogP12.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.72
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838837
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
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-(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-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(9,9'-spirobi[fluorene]-4'-yl)benzene-6-id-1-yl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;iridium
CID 140838670
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-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
2-[6-[3-dibenzofuran-4-yl-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838316
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 140838956) is 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cn3)cc2Br)c1.
What is the InChIKey of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is WPHNBXPHVMUPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33BrN4/c1-30-23-31(2)25-40(24-30)41-13-7-8-14-42(41)43-21-19-36(28-44(43)49)45-22-20-39(29-50-45)48-52-46(37-17-15-32-9-3-5-11-34(32)26-37)51-47(53-48)38-18-16-33-10-4-6-12-35(33)27-38/h3-29H,1-2H3.
What are the key properties of 2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 745.72 g/mol, XLogP of 12.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 140838956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).