2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine

C45H33N3 — CID 129292630

IUPAC2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cccc5ccccc45)c3)c2)n1
InChIInChI=1S/C45H33N3/c1-30-23-31(2)47-45(46-30)36-20-11-19-35(24-36)37-25-38(27-40(26-37)42-22-12-18-32-13-9-10-21-41(32)42)39-28-43(33-14-5-3-6-15-33)48-44(29-39)34-16-7-4-8-17-34/h3-29H,1-2H3
InChIKeySAOYONCUZNWRFI-UHFFFAOYSA-N
MW615.78 g/mol
LogP11.64
Rot. Bonds6

About 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine

2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine (PubChem CID 129292630) has the molecular formula C45H33N3 and a molecular weight of 615.78 g/mol. Its IUPAC name is 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
PubChem CID129292630
Molecular FormulaC45H33N3
Molecular Weight615.78 g/mol
Exact Mass615.27
IUPAC Name2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cccc5ccccc45)c3)c2)n1
InChIInChI=1S/C45H33N3/c1-30-23-31(2)47-45(46-30)36-20-11-19-35(24-36)37-25-38(27-40(26-37)42-22-12-18-32-13-9-10-21-41(32)42)39-28-43(33-14-5-3-6-15-33)48-44(29-39)34-16-7-4-8-17-34/h3-29H,1-2H3
InChIKeySAOYONCUZNWRFI-UHFFFAOYSA-N
XLogP11.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.78
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
2-[3-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(2,6-dimethylpyrimidin-4-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(4-methylpyrimidin-2-yl)phenyl]-5-naphthalen-1-ylphenyl]-4,6-diphenylpyrimidine
CID 161463757
2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
4,6-dimethyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine;2-[3-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]-4,6-dimethylpyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 158579078
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;4-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(2-methyl-4-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;4-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]-4,6-dimethylpyrimidine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine;2-[4-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 159747477
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
2-[3-naphthalen-1-yl-5-(3-pyrimidin-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 129292712

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine (CID 129292630) is 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cccc5ccccc45)c3)c2)n1.
What is the InChIKey of 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine?
The InChIKey is SAOYONCUZNWRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3/c1-30-23-31(2)47-45(46-30)36-20-11-19-35(24-36)37-25-38(27-40(26-37)42-22-12-18-32-13-9-10-21-41(32)42)39-28-43(33-14-5-3-6-15-33)48-44(29-39)34-16-7-4-8-17-34/h3-29H,1-2H3.
What are the key properties of 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine?
2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine has a molecular weight of 615.78 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 129292630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).