1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene

C46H32F6 — CID 59609421

IUPAC1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H32F6/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52/h3-28H,1-2H3
InChIKeyUINVXRRDCAZUGR-UHFFFAOYSA-N
MW698.75 g/mol
LogP14.34
Rot. Bonds6

About 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene

1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 59609421) has the molecular formula C46H32F6 and a molecular weight of 698.75 g/mol. Its IUPAC name is 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene
PubChem CID59609421
Molecular FormulaC46H32F6
Molecular Weight698.75 g/mol
Exact Mass698.24
IUPAC Name1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H32F6/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52/h3-28H,1-2H3
InChIKeyUINVXRRDCAZUGR-UHFFFAOYSA-N
XLogP14.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.75
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene (CID 59609421) is 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene is Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4ccccc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is UINVXRRDCAZUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F6/c1-29-23-30(2)36(24-35(29)31-15-7-3-8-16-31)40-25-38(33-19-11-5-12-20-33)41(26-37(40)32-17-9-4-10-18-32)42-27-39(34-21-13-6-14-22-34)43(45(47,48)49)28-44(42)46(50,51)52/h3-28H,1-2H3.
What are the key properties of 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene?
1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 698.75 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethyl-5-phenylphenyl)-2,5-diphenylphenyl]-5-phenyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 59609421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).