ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene

C156H214 — CID 159021382

IUPACethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20.2C19H16.3C13H12.C11H10.C7H8.18C2H6/c1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;18*1-2/h2-18H,1H3;2*2-14H,1H3;3*2-10H,1H3;2-8H,1H3;2-6H,1H3;18*1-2H3
InChIKeyJTTASXPKOCPWEK-UHFFFAOYSA-N
MW2089.43 g/mol
LogP52.25
Rot. Bonds10

About ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene

ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene (PubChem CID 159021382) has the molecular formula C156H214 and a molecular weight of 2089.43 g/mol. Its IUPAC name is ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene.

Molecular Properties

Compound Nameethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
PubChem CID159021382
Molecular FormulaC156H214
Molecular Weight2089.43 g/mol
Exact Mass2087.67
IUPAC Nameethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C25H20.2C19H16.3C13H12.C11H10.C7H8.18C2H6/c1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;18*1-2/h2-18H,1H3;2*2-14H,1H3;3*2-10H,1H3;2-8H,1H3;2-6H,1H3;18*1-2H3
InChIKeyJTTASXPKOCPWEK-UHFFFAOYSA-N
XLogP52.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002089.43
LogP ≤ 552.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene?
The IUPAC name of ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene (CID 159021382) is ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene.
What is the SMILES notation for ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene?
The canonical SMILES for ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1ccc(-c2ccccc2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.Cc1cccc(-c2cccc(-c3ccccc3)c2)c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1.
What is the InChIKey of ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene?
The InChIKey is JTTASXPKOCPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.2C19H16.3C13H12.C11H10.C7H8.18C2H6/c1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;18*1-2/h2-18H,1H3;2*2-14H,1H3;3*2-10H,1H3;2-8H,1H3;2-6H,1H3;18*1-2H3.
What are the key properties of ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene?
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene has a molecular weight of 2089.43 g/mol, XLogP of 52.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene is sourced from PubChem (CID 159021382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).