ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine

C96H138N6 — CID 159010834

IUPACethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1cccc(-c2ccncc2)c1.Cc1ccccc1-c1cccnc1.Cc1ccccc1-c1ccncc1
InChIInChI=1S/6C12H11N.12C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;12*1-2/h6*2-9H,1H3;12*1-2H3
InChIKeyJSLUGXDNYPLLTL-UHFFFAOYSA-N
MW1376.20 g/mol
LogP30.66
Rot. Bonds6

About ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine

ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine (PubChem CID 159010834) has the molecular formula C96H138N6 and a molecular weight of 1376.20 g/mol. Its IUPAC name is ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine.

Molecular Properties

Compound Nameethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
PubChem CID159010834
Molecular FormulaC96H138N6
Molecular Weight1376.20 g/mol
Exact Mass1375.10
IUPAC Nameethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1cccc(-c2ccncc2)c1.Cc1ccccc1-c1cccnc1.Cc1ccccc1-c1ccncc1
InChIInChI=1S/6C12H11N.12C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;12*1-2/h6*2-9H,1H3;12*1-2H3
InChIKeyJSLUGXDNYPLLTL-UHFFFAOYSA-N
XLogP30.66
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.20
LogP ≤ 530.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
3-(2-methylphenyl)pyridine
CID 4133191
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-(2-methylphenyl)pyridine
CID 161162835
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
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
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
CID 163847388
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
3-methyl-5-[4-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine;3-methyl-5-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;4-methyl-3-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 157188872
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The IUPAC name of ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine (CID 159010834) is ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine.
What is the SMILES notation for ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The canonical SMILES for ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(-c2ccncc2)cc1.Cc1cccc(-c2ccncc2)c1.Cc1ccccc1-c1cccnc1.Cc1ccccc1-c1ccncc1.
What is the InChIKey of ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
The InChIKey is JSLUGXDNYPLLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H11N.12C2H6/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12;2*1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-2-3-7-12(10)11-6-4-8-13-9-11;1-10-3-2-4-12(9-10)11-5-7-13-8-6-11;1-10-4-2-3-5-12(10)11-6-8-13-9-7-11;12*1-2/h6*2-9H,1H3;12*1-2H3.
What are the key properties of ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine?
ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine has a molecular weight of 1376.20 g/mol, XLogP of 30.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methylphenyl)pyridine;bis(3-(4-methylphenyl)pyridine);4-(2-methylphenyl)pyridine;4-(3-methylphenyl)pyridine;4-(4-methylphenyl)pyridine is sourced from PubChem (CID 159010834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).