1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine

C61H56N4 — CID 159007156

IUPAC1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
SMILESCc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)nc1.Cc1cccc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H12.4C12H11N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-10H,1H3;4*2-9H,1H3
InChIKeyJSBIOXFCUPJNIN-UHFFFAOYSA-N
MW845.15 g/mol
LogP15.89
Rot. Bonds5

About 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine

1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine (PubChem CID 159007156) has the molecular formula C61H56N4 and a molecular weight of 845.15 g/mol. Its IUPAC name is 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine.

Molecular Properties

Compound Name1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
PubChem CID159007156
Molecular FormulaC61H56N4
Molecular Weight845.15 g/mol
Exact Mass844.45
IUPAC Name1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
SMILESCc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)nc1.Cc1cccc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H12.4C12H11N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-10H,1H3;4*2-9H,1H3
InChIKeyJSBIOXFCUPJNIN-UHFFFAOYSA-N
XLogP15.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.15
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-5-phenylpyridine;4-(4-methylphenyl)-2-phenylpyridine;5-(4-methylphenyl)-2-phenylpyridine;2-(3-methylphenyl)pyrimidine;2-(4-methylphenyl)pyrimidine;5-(3-methylphenyl)pyrimidine;5-(4-methylphenyl)pyrimidine;5-(5-methyl-2-pyridinyl)pyrimidine;5-(5-methyl-3-pyridinyl)pyrimidine;5-(6-methyl-2-pyridinyl)pyrimidine;5-(6-methyl-3-pyridinyl)pyrimidine
CID 159369833
2-methyl-6-phenylpyridine;3-methyl-2-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine;4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine;5-methyl-2-phenylpyridine
CID 159426682
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
4-(3-methylphenyl)-2-(4-methylphenyl)pyridine
CID 118345294
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
bis(2,4-dimethylpyridine);bis(2,5-dimethylpyridine);3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);ethane;1,3-xylene;1,4-xylene
CID 163474708
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
1-fluoro-3-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;2-methyl-6-phenylpyridine;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-methyl-2-phenylpyridine
CID 158405395
bis(2,5-dimethylpyridine);2,6-dimethylpyridine;3,5-dimethylpyridine;bis(2,5-dimethylpyrimidine);1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 158263629
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552
3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
CID 59724442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The IUPAC name of 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine (CID 159007156) is 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine.
What is the SMILES notation for 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The canonical SMILES for 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine is Cc1ccc(-c2ccccc2)cn1.Cc1ccc(-c2ccccc2)nc1.Cc1cccc(-c2ccccc2)c1.Cc1ccnc(-c2ccccc2)c1.Cc1cncc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
The InChIKey is JSBIOXFCUPJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.4C12H11N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-7-12(9-13-8-10)11-5-3-2-4-6-11;1-10-7-8-12(9-13-10)11-5-3-2-4-6-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-10H,1H3;4*2-9H,1H3.
What are the key properties of 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine?
1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine has a molecular weight of 845.15 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine is sourced from PubChem (CID 159007156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).