2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene

C34H38 — CID 142281639

IUPAC2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(CC)c3)cc2)cc1
InChIInChI=1S/C34H38/c1-4-7-8-10-27-11-15-29(16-12-27)30-19-21-31(22-20-30)33-23-24-34(28(6-3)25-33)32-17-13-26(9-5-2)14-18-32/h11-25H,4-10H2,1-3H3
InChIKeyYDINYIQWYYUIEP-UHFFFAOYSA-N
MW446.68 g/mol
LogP9.94
Rot. Bonds10

About 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene

2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene (PubChem CID 142281639) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
PubChem CID142281639
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(CC)c3)cc2)cc1
InChIInChI=1S/C34H38/c1-4-7-8-10-27-11-15-29(16-12-27)30-19-21-31(22-20-30)33-23-24-34(28(6-3)25-33)32-17-13-26(9-5-2)14-18-32/h11-25H,4-10H2,1-3H3
InChIKeyYDINYIQWYYUIEP-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
3-[4-[2-ethyl-4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenyl]-N-methoxysulfanyl-N-methylpropan-1-amine
CID 135218654
[3-ethyl-4-(4-propylphenyl)phenyl]methanol
CID 90163510
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
CID 67950330
1-[4-[4-ethoxy-3-(1-ethoxyethenyl)pent-4-enyl]phenyl]-2-ethyl-4-(4-pentylphenyl)benzene
CID 90245042

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene?
The IUPAC name of 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene (CID 142281639) is 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene.
What is the SMILES notation for 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene?
The canonical SMILES for 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(CC)c3)cc2)cc1.
What is the InChIKey of 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene?
The InChIKey is YDINYIQWYYUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-4-7-8-10-27-11-15-29(16-12-27)30-19-21-31(22-20-30)33-23-24-34(28(6-3)25-33)32-17-13-26(9-5-2)14-18-32/h11-25H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene?
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene has a molecular weight of 446.68 g/mol, XLogP of 9.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene is sourced from PubChem (CID 142281639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).