3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine

C54H55N3 — CID 161440449

IUPAC3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1ccnc(-c2ccccc2)c1C.[2H]C([2H])([2H])c1ccc(-c2ccccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C14H15N.C14H14.2C13H13N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12/h4-9H,1-3H3;3-10H,1-2H3;2*3-9H,1-2H3/i3*1D3;
InChIKeyVZEVTQQLBNHYIR-AFSCPLLHSA-N
MW755.11 g/mol
LogP14.38
Rot. Bonds7

About 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine

3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 161440449) has the molecular formula C54H55N3 and a molecular weight of 755.11 g/mol. Its IUPAC name is 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
PubChem CID161440449
Molecular FormulaC54H55N3
Molecular Weight755.11 g/mol
Exact Mass754.50
IUPAC Name3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
SMILESCc1ccnc(-c2ccccc2)c1C.[2H]C([2H])([2H])c1ccc(-c2ccccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1C
InChIInChI=1S/C14H15N.C14H14.2C13H13N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12/h4-9H,1-3H3;3-10H,1-2H3;2*3-9H,1-2H3/i3*1D3;
InChIKeyVZEVTQQLBNHYIR-AFSCPLLHSA-N
XLogP14.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.11
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene;methane;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 158920302
3,4,5-trimethyl-2-phenylpyridine
CID 59359504
3,4-dimethyl-2-(3-phenylphenyl)pyridine
CID 59594024
3,5-dimethyl-2-(3-methyl-4-phenylphenyl)pyridine
CID 140847672
4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
4-methyl-3-phenyl-2-(4-phenylphenyl)pyridine
CID 71400331
3-[2,6-dimethyl-4-(4-methylphenyl)phenyl]-5-methyl-2-phenylpyridine
CID 170237029
5-fluoro-3-methyl-2-phenylpyridine
CID 46314858
3,4-dimethyl-2-phenylpyridine;tris(iridium);3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(5-phenyl-2-phenylpyridine);3,4,5-trimethyl-2-phenylpyridine
CID 163985331
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967
iridium;3-methyl-2-phenylpyridine;2-phenyl-3-(trideuteriomethyl)pyridine
CID 157060689
2-(5-methyl-2-pyridinyl)-5-[3-[3-[2-[2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 159274930

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The IUPAC name of 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine (CID 161440449) is 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine is Cc1ccnc(-c2ccccc2)c1C.[2H]C([2H])([2H])c1ccc(-c2ccccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1.[2H]C([2H])([2H])c1cnc(-c2ccccc2)c(C)c1C.
What is the InChIKey of 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
The InChIKey is VZEVTQQLBNHYIR-AFSCPLLHSA-N. The full InChI is InChI=1S/C14H15N.C14H14.2C13H13N/c1-10-9-15-14(12(3)11(10)2)13-7-5-4-6-8-13;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-10-8-11(2)13(14-9-10)12-6-4-3-5-7-12;1-10-8-9-14-13(11(10)2)12-6-4-3-5-7-12/h4-9H,1-3H3;3-10H,1-2H3;2*3-9H,1-2H3/i3*1D3;.
What are the key properties of 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine?
3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 755.11 g/mol, XLogP of 14.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-phenylpyridine;3,4-dimethyl-2-phenyl-5-(trideuteriomethyl)pyridine;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 161440449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).