2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene

C30H37F — CID 19906984

IUPAC2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)c(F)c2)cc1
InChIInChI=1S/C30H37F/c1-3-5-6-7-8-10-25-15-18-27(19-16-25)29-22-21-28(30(31)23-29)20-17-26-13-11-24(9-4-2)12-14-26/h11-16,18-19,21-23H,3-10,17,20H2,1-2H3
InChIKeyBSSWZCHXRNGCGS-UHFFFAOYSA-N
MW416.62 g/mol
LogP8.74
Rot. Bonds12

About 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene

2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 19906984) has the molecular formula C30H37F and a molecular weight of 416.62 g/mol. Its IUPAC name is 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
PubChem CID19906984
Molecular FormulaC30H37F
Molecular Weight416.62 g/mol
Exact Mass416.29
IUPAC Name2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)c(F)c2)cc1
InChIInChI=1S/C30H37F/c1-3-5-6-7-8-10-25-15-18-27(19-16-25)29-22-21-28(30(31)23-29)20-17-26-13-11-24(9-4-2)12-14-26/h11-16,18-19,21-23H,3-10,17,20H2,1-2H3
InChIKeyBSSWZCHXRNGCGS-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.62
LogP ≤ 58.74
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-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
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
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene (CID 19906984) is 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene is CCCCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is BSSWZCHXRNGCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F/c1-3-5-6-7-8-10-25-15-18-27(19-16-25)29-22-21-28(30(31)23-29)20-17-26-13-11-24(9-4-2)12-14-26/h11-16,18-19,21-23H,3-10,17,20H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene?
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 416.62 g/mol, XLogP of 8.74, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 19906984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).