1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)

C59H60 — CID 166528356

IUPAC1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)
SMILESCC(C)c1ccccc1.CCc1ccccc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12
InChIInChI=1S/C20H18.2C11H10.C9H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;2*2-8H,1H3;3-8H,1-2H3;3-7H,2H2,1H3
InChIKeyXLYNMNZPHDIRTC-UHFFFAOYSA-N
MW769.13 g/mol
LogP16.99
Rot. Bonds4

About 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)

1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene) (PubChem CID 166528356) has the molecular formula C59H60 and a molecular weight of 769.13 g/mol. Its IUPAC name is 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene).

Molecular Properties

Compound Name1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)
PubChem CID166528356
Molecular FormulaC59H60
Molecular Weight769.13 g/mol
Exact Mass768.47
IUPAC Name1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)
SMILESCC(C)c1ccccc1.CCc1ccccc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12
InChIInChI=1S/C20H18.2C11H10.C9H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;2*2-8H,1H3;3-8H,1-2H3;3-7H,2H2,1H3
InChIKeyXLYNMNZPHDIRTC-UHFFFAOYSA-N
XLogP16.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.13
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;ethylbenzene;methane
CID 159529846
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;methanol
CID 159437304
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953
ethane;1-methylnaphthalene;toluene
CID 91013579
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;phenol
CID 159077925
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
CID 174313619
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
diphenyl-(4-propan-2-ylphenyl)sulfanium;(4-ethylphenyl)-diphenylsulfanium;(2-methylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 161235230
ethane;1-ethyl-4-(4-propan-2-ylphenyl)benzene
CID 143715376

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)?
The IUPAC name of 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene) (CID 166528356) is 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene).
What is the SMILES notation for 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)?
The canonical SMILES for 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene) is CC(C)c1ccccc1.CCc1ccccc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.
What is the InChIKey of 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)?
The InChIKey is XLYNMNZPHDIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.2C11H10.C9H12.C8H10/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h3-14H,1-2H3;2*2-8H,1H3;3-8H,1-2H3;3-7H,2H2,1H3.
What are the key properties of 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)?
1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene) has a molecular weight of 769.13 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene) is sourced from PubChem (CID 166528356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).