1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene

C178H204 — CID 159383327

IUPAC1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2C)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H54.C45H52.C44H50.C43H48/c1-7-9-11-13-15-41-31-46(40-25-21-38(22-26-40)44-28-18-34(4)30-36(44)6)42(16-14-12-10-8-2)32-45(41)39-23-19-37(20-24-39)43-27-17-33(3)29-35(43)5;1-6-8-10-12-14-41-32-45(40-27-25-38(26-28-40)43-29-18-34(4)30-35(43)5)42(15-13-11-9-7-2)31-44(41)39-23-21-37(22-24-39)36-19-16-33(3)17-20-36;1-6-9-11-13-40-31-44(39-26-24-37(25-27-39)42-28-17-33(5)29-34(42)8-3)41(14-12-10-7-2)30-43(40)38-22-20-36(21-23-38)35-18-15-32(4)16-19-35;1-6-8-10-12-39-30-43(38-25-23-36(24-26-38)41-27-16-32(4)28-33(41)5)40(13-11-9-7-2)29-42(39)37-21-19-35(20-22-37)34-17-14-31(3)15-18-34/h17-32H,7-16H2,1-6H3;16-32H,6-15H2,1-5H3;15-31H,6-14H2,1-5H3;14-30H,6-13H2,1-5H3
InChIKeyLLELJEZAFKQESJ-UHFFFAOYSA-N
MW2343.59 g/mol
LogP53.10
Rot. Bonds53

About 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene

1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene (PubChem CID 159383327) has the molecular formula C178H204 and a molecular weight of 2343.59 g/mol. Its IUPAC name is 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene.

Molecular Properties

Compound Name1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
PubChem CID159383327
Molecular FormulaC178H204
Molecular Weight2343.59 g/mol
Exact Mass2341.60
IUPAC Name1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2C)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C46H54.C45H52.C44H50.C43H48/c1-7-9-11-13-15-41-31-46(40-25-21-38(22-26-40)44-28-18-34(4)30-36(44)6)42(16-14-12-10-8-2)32-45(41)39-23-19-37(20-24-39)43-27-17-33(3)29-35(43)5;1-6-8-10-12-14-41-32-45(40-27-25-38(26-28-40)43-29-18-34(4)30-35(43)5)42(15-13-11-9-7-2)31-44(41)39-23-21-37(22-24-39)36-19-16-33(3)17-20-36;1-6-9-11-13-40-31-44(39-26-24-37(25-27-39)42-28-17-33(5)29-34(42)8-3)41(14-12-10-7-2)30-43(40)38-22-20-36(21-23-38)35-18-15-32(4)16-19-35;1-6-8-10-12-39-30-43(38-25-23-36(24-26-38)41-27-16-32(4)28-33(41)5)40(13-11-9-7-2)29-42(39)37-21-19-35(20-22-37)34-17-14-31(3)15-18-34/h17-32H,7-16H2,1-6H3;16-32H,6-15H2,1-5H3;15-31H,6-14H2,1-5H3;14-30H,6-13H2,1-5H3
InChIKeyLLELJEZAFKQESJ-UHFFFAOYSA-N
XLogP53.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds53
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002343.59
LogP ≤ 553.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene with MolForge

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Related Compounds

1,4-dibutyl-2,5-bis[4-(2-ethyl-4-methylphenyl)phenyl]benzene
CID 155761642
4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 157408335
2-(2,5-dihexyl-4-methylphenyl)-6-methylnaphthalene;methane
CID 157345850
2-[4-[4-[4-(3,4-dimethylphenyl)-2,5-dihexylphenyl]-2-methylphenyl]phenyl]-4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
CID 90192426
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163
3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 177093097
2,5-dihexyl-4-[3-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]-N-(3-methyl-4-phenylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 167382558
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 171457404
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene?
The IUPAC name of 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene (CID 159383327) is 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene.
What is the SMILES notation for 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene?
The canonical SMILES for 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene is CCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(C)cc2C)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3C)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.CCCCCc1cc(-c2ccc(-c3ccc(C)cc3CC)cc2)c(CCCCC)cc1-c1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene?
The InChIKey is LLELJEZAFKQESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54.C45H52.C44H50.C43H48/c1-7-9-11-13-15-41-31-46(40-25-21-38(22-26-40)44-28-18-34(4)30-36(44)6)42(16-14-12-10-8-2)32-45(41)39-23-19-37(20-24-39)43-27-17-33(3)29-35(43)5;1-6-8-10-12-14-41-32-45(40-27-25-38(26-28-40)43-29-18-34(4)30-35(43)5)42(15-13-11-9-7-2)31-44(41)39-23-21-37(22-24-39)36-19-16-33(3)17-20-36;1-6-9-11-13-40-31-44(39-26-24-37(25-27-39)42-28-17-33(5)29-34(42)8-3)41(14-12-10-7-2)30-43(40)38-22-20-36(21-23-38)35-18-15-32(4)16-19-35;1-6-8-10-12-39-30-43(38-25-23-36(24-26-38)41-27-16-32(4)28-33(41)5)40(13-11-9-7-2)29-42(39)37-21-19-35(20-22-37)34-17-14-31(3)15-18-34/h17-32H,7-16H2,1-6H3;16-32H,6-15H2,1-5H3;15-31H,6-14H2,1-5H3;14-30H,6-13H2,1-5H3.
What are the key properties of 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene?
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene has a molecular weight of 2343.59 g/mol, XLogP of 53.10, 53 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene is sourced from PubChem (CID 159383327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).