1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane

C27H29F — CID 123946617

IUPAC1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
SMILESCc1ccc(-c2ccc(-c3ccc(C4CCCC(C)CC4)cc3)cc2F)cc1
InChIInChI=1S/C27H29F/c1-19-4-3-5-21(9-6-19)22-12-14-23(15-13-22)25-16-17-26(27(28)18-25)24-10-7-20(2)8-11-24/h7-8,10-19,21H,3-6,9H2,1-2H3
InChIKeyNJVYQRHSQMYIDA-UHFFFAOYSA-N
MW372.53 g/mol
LogP8.15
Rot. Bonds3

About 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane

1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane (PubChem CID 123946617) has the molecular formula C27H29F and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane.

Molecular Properties

Compound Name1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
PubChem CID123946617
Molecular FormulaC27H29F
Molecular Weight372.53 g/mol
Exact Mass372.23
IUPAC Name1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
SMILESCc1ccc(-c2ccc(-c3ccc(C4CCCC(C)CC4)cc3)cc2F)cc1
InChIInChI=1S/C27H29F/c1-19-4-3-5-21(9-6-19)22-12-14-23(15-13-22)25-16-17-26(27(28)18-25)24-10-7-20(2)8-11-24/h7-8,10-19,21H,3-6,9H2,1-2H3
InChIKeyNJVYQRHSQMYIDA-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
CID 145312714
1-(4-ethynylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 89374985
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
1-(4-but-2-enylphenyl)-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 158452462
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
CID 166651083
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane?
The IUPAC name of 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane (CID 123946617) is 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane.
What is the SMILES notation for 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane?
The canonical SMILES for 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane is Cc1ccc(-c2ccc(-c3ccc(C4CCCC(C)CC4)cc3)cc2F)cc1.
What is the InChIKey of 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane?
The InChIKey is NJVYQRHSQMYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F/c1-19-4-3-5-21(9-6-19)22-12-14-23(15-13-22)25-16-17-26(27(28)18-25)24-10-7-20(2)8-11-24/h7-8,10-19,21H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane?
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane has a molecular weight of 372.53 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane is sourced from PubChem (CID 123946617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).