1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene

C34H36F2 — CID 155259476

IUPAC1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
SMILESCc1cc(CCCCCCCCCc2ccc(-c3ccc(F)cc3)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C34H36F2/c1-26-25-28(13-24-34(26)31-18-22-33(36)23-19-31)10-8-6-4-2-3-5-7-9-27-11-14-29(15-12-27)30-16-20-32(35)21-17-30/h11-25H,2-10H2,1H3
InChIKeyULCZLXPYNYWEEA-UHFFFAOYSA-N
MW482.66 g/mol
LogP10.12
Rot. Bonds12

About 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene

1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene (PubChem CID 155259476) has the molecular formula C34H36F2 and a molecular weight of 482.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
PubChem CID155259476
Molecular FormulaC34H36F2
Molecular Weight482.66 g/mol
Exact Mass482.28
IUPAC Name1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
SMILESCc1cc(CCCCCCCCCc2ccc(-c3ccc(F)cc3)cc2)ccc1-c1ccc(F)cc1
InChIInChI=1S/C34H36F2/c1-26-25-28(13-24-34(26)31-18-22-33(36)23-19-31)10-8-6-4-2-3-5-7-9-27-11-14-29(15-12-27)30-16-20-32(35)21-17-30/h11-25H,2-10H2,1H3
InChIKeyULCZLXPYNYWEEA-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 510.12
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

2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
2-[4-(4-fluoro-3-methylphenyl)phenyl]-5-[7-[4-[4-(4-fluoro-3-methylphenyl)phenyl]-3-methylphenyl]heptyl]-1,3-dimethylbenzene
CID 144502299
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
4-[4-[9-[4-(4-cyanophenyl)phenyl]nonyl]-2-methylphenyl]-2-methylbenzonitrile
CID 155259448
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
1,3-difluoro-5-[4-[4-(4-hexylphenyl)-2-methylphenyl]phenyl]-2-isothiocyanatobenzene
CID 126611194
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene?
The IUPAC name of 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene (CID 155259476) is 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene?
The canonical SMILES for 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene is Cc1cc(CCCCCCCCCc2ccc(-c3ccc(F)cc3)cc2)ccc1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene?
The InChIKey is ULCZLXPYNYWEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2/c1-26-25-28(13-24-34(26)31-18-22-33(36)23-19-31)10-8-6-4-2-3-5-7-9-27-11-14-29(15-12-27)30-16-20-32(35)21-17-30/h11-25H,2-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene?
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene has a molecular weight of 482.66 g/mol, XLogP of 10.12, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene is sourced from PubChem (CID 155259476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).