1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

C196H211F3 — CID 157191184

IUPAC1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)c(F)c3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)c(C)c1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1C.CCc1ccc(-c2ccc(CC)cc2C)c(C)c1.CCc1ccc(-c2ccc(CC)cc2C)cc1.CCc1ccc(-c2ccc3cc(CC)ccc3c2)cc1
InChIInChI=1S/3C22H21F.C22H22.C20H20.3C18H22.2C17H20/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19;1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23;1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21;1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-15-5-8-17(9-6-15)19-12-11-18-13-16(4-2)7-10-20(18)14-19;1-5-15-7-10-18(14(4)11-15)17-9-8-16(6-2)13(3)12-17;1-5-15-7-9-17(11-13(15)3)18-10-8-16(6-2)14(4)12-18;1-5-15-7-9-17(13(3)11-15)18-10-8-16(6-2)12-14(18)4;1-4-14-6-9-16(10-7-14)17-11-8-15(5-2)12-13(17)3;1-4-14-6-8-16(9-7-14)17-11-10-15(5-2)13(3)12-17/h3*5-15H,3-4H2,1-2H3;5-16H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3*7-12H,5-6H2,1-4H3;2*6-12H,4-5H2,1-3H3
InChIKeyAPSHHLYGXGZWDT-UHFFFAOYSA-N
MW2623.84 g/mol
LogP55.49
Rot. Bonds34

About 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (PubChem CID 157191184) has the molecular formula C196H211F3 and a molecular weight of 2623.84 g/mol. Its IUPAC name is 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
PubChem CID157191184
Molecular FormulaC196H211F3
Molecular Weight2623.84 g/mol
Exact Mass2621.65
IUPAC Name1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)c(F)c3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)c(C)c1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1C.CCc1ccc(-c2ccc(CC)cc2C)c(C)c1.CCc1ccc(-c2ccc(CC)cc2C)cc1.CCc1ccc(-c2ccc3cc(CC)ccc3c2)cc1
InChIInChI=1S/3C22H21F.C22H22.C20H20.3C18H22.2C17H20/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19;1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23;1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21;1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-15-5-8-17(9-6-15)19-12-11-18-13-16(4-2)7-10-20(18)14-19;1-5-15-7-10-18(14(4)11-15)17-9-8-16(6-2)13(3)12-17;1-5-15-7-9-17(11-13(15)3)18-10-8-16(6-2)14(4)12-18;1-5-15-7-9-17(13(3)11-15)18-10-8-16(6-2)12-14(18)4;1-4-14-6-9-16(10-7-14)17-11-8-15(5-2)12-13(17)3;1-4-14-6-8-16(9-7-14)17-11-10-15(5-2)13(3)12-17/h3*5-15H,3-4H2,1-2H3;5-16H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3*7-12H,5-6H2,1-4H3;2*6-12H,4-5H2,1-3H3
InChIKeyAPSHHLYGXGZWDT-UHFFFAOYSA-N
XLogP55.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms199
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002623.84
LogP ≤ 555.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The IUPAC name of 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (CID 157191184) is 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.
What is the SMILES notation for 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The canonical SMILES for 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is CCc1ccc(-c2ccc(-c3ccc(CC)c(F)c3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1.CCc1ccc(-c2ccc(-c3ccc(CC)cc3F)cc2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)c(C)c1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1.CCc1ccc(-c2ccc(CC)c(C)c2)cc1C.CCc1ccc(-c2ccc(CC)cc2C)c(C)c1.CCc1ccc(-c2ccc(CC)cc2C)cc1.CCc1ccc(-c2ccc3cc(CC)ccc3c2)cc1.
What is the InChIKey of 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The InChIKey is APSHHLYGXGZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H21F.C22H22.C20H20.3C18H22.2C17H20/c1-3-16-5-9-18(10-6-16)20-13-14-21(22(23)15-20)19-11-7-17(4-2)8-12-19;1-3-16-5-8-18(9-6-16)19-10-12-20(13-11-19)21-14-7-17(4-2)15-22(21)23;1-3-16-5-7-18(8-6-16)19-10-12-20(13-11-19)21-14-9-17(4-2)22(23)15-21;1-3-17-5-9-19(10-6-17)21-13-15-22(16-14-21)20-11-7-18(4-2)8-12-20;1-3-15-5-8-17(9-6-15)19-12-11-18-13-16(4-2)7-10-20(18)14-19;1-5-15-7-10-18(14(4)11-15)17-9-8-16(6-2)13(3)12-17;1-5-15-7-9-17(11-13(15)3)18-10-8-16(6-2)14(4)12-18;1-5-15-7-9-17(13(3)11-15)18-10-8-16(6-2)12-14(18)4;1-4-14-6-9-16(10-7-14)17-11-8-15(5-2)12-13(17)3;1-4-14-6-8-16(9-7-14)17-11-10-15(5-2)13(3)12-17/h3*5-15H,3-4H2,1-2H3;5-16H,3-4H2,1-2H3;5-14H,3-4H2,1-2H3;3*7-12H,5-6H2,1-4H3;2*6-12H,4-5H2,1-3H3.
What are the key properties of 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene has a molecular weight of 2623.84 g/mol, XLogP of 55.49, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is sourced from PubChem (CID 157191184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).