1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene

C55H62F2 — CID 144502766

IUPAC1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene
SMILESCc1cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc(C)c1CCCCCCCc1c(C)cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc1C
InChIInChI=1S/C55H62F2/c1-32-24-46(54-36(5)28-44(29-37(54)6)50-20-22-52(56)42(11)40(50)9)25-33(2)48(32)18-16-14-13-15-17-19-49-34(3)26-47(27-35(49)4)55-38(7)30-45(31-39(55)8)51-21-23-53(57)43(12)41(51)10/h20-31H,13-19H2,1-12H3
InChIKeyFUMPRNSGKQBVDN-UHFFFAOYSA-N
MW761.10 g/mol
LogP16.07
Rot. Bonds12

About 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene

1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene (PubChem CID 144502766) has the molecular formula C55H62F2 and a molecular weight of 761.10 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene
PubChem CID144502766
Molecular FormulaC55H62F2
Molecular Weight761.10 g/mol
Exact Mass760.48
IUPAC Name1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene
SMILESCc1cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc(C)c1CCCCCCCc1c(C)cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc1C
InChIInChI=1S/C55H62F2/c1-32-24-46(54-36(5)28-44(29-37(54)6)50-20-22-52(56)42(11)40(50)9)25-33(2)48(32)18-16-14-13-15-17-19-49-34(3)26-47(27-35(49)4)55-38(7)30-45(31-39(55)8)51-21-23-53(57)43(12)41(51)10/h20-31H,13-19H2,1-12H3
InChIKeyFUMPRNSGKQBVDN-UHFFFAOYSA-N
XLogP16.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.10
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene with MolForge

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Related Compounds

5-fluoro-2-[4-[7-[4-(4-fluoro-2,6-dimethylphenyl)-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-1,3-dimethylbenzene
CID 144502251
2-[4-(4-fluoro-3-methylphenyl)phenyl]-5-[7-[4-[4-(4-fluoro-3-methylphenyl)phenyl]-3-methylphenyl]heptyl]-1,3-dimethylbenzene
CID 144502299
1-(4-fluoro-2,6-dimethylphenyl)-4-[7-[4-(4-fluoro-2,6-dimethylphenyl)-2,3-dimethylphenyl]heptyl]-2,3-dimethylbenzene
CID 144502815
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167608269
[4-(2-fluoro-4-methylphenyl)-2,6-dimethylphenyl]methanamine
CID 172876736
1-[2,3-difluoro-4-[3-fluoro-4-(2,3,5-trimethyl-4-propylphenyl)phenyl]phenyl]-2,3,5-trimethyl-4-propylbenzene
CID 58807412
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876857
[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876855
5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
CID 59787642
5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene
CID 156728260

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene?
The IUPAC name of 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene (CID 144502766) is 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene?
The canonical SMILES for 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene is Cc1cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc(C)c1CCCCCCCc1c(C)cc(-c2c(C)cc(-c3ccc(F)c(C)c3C)cc2C)cc1C.
What is the InChIKey of 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene?
The InChIKey is FUMPRNSGKQBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62F2/c1-32-24-46(54-36(5)28-44(29-37(54)6)50-20-22-52(56)42(11)40(50)9)25-33(2)48(32)18-16-14-13-15-17-19-49-34(3)26-47(27-35(49)4)55-38(7)30-45(31-39(55)8)51-21-23-53(57)43(12)41(51)10/h20-31H,13-19H2,1-12H3.
What are the key properties of 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene?
1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene has a molecular weight of 761.10 g/mol, XLogP of 16.07, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-[7-[4-[4-(4-fluoro-2,3-dimethylphenyl)-2,6-dimethylphenyl]-2,6-dimethylphenyl]heptyl]-3,5-dimethylphenyl]-3,5-dimethylphenyl]-2,3-dimethylbenzene is sourced from PubChem (CID 144502766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).