3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine

C44H30F6N2 — CID 59609365

IUPAC3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C44H30F6N2/c1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50/h3-26H,1-2H3
InChIKeyYLMZWQROSHCHNM-UHFFFAOYSA-N
MW700.73 g/mol
LogP13.13
Rot. Bonds6

About 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine

3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine (PubChem CID 59609365) has the molecular formula C44H30F6N2 and a molecular weight of 700.73 g/mol. Its IUPAC name is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
PubChem CID59609365
Molecular FormulaC44H30F6N2
Molecular Weight700.73 g/mol
Exact Mass700.23
IUPAC Name3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1
InChIInChI=1S/C44H30F6N2/c1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50/h3-26H,1-2H3
InChIKeyYLMZWQROSHCHNM-UHFFFAOYSA-N
XLogP13.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.73
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine (CID 59609365) is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1.
What is the InChIKey of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?
The InChIKey is YLMZWQROSHCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30F6N2/c1-27-19-28(2)34(20-33(27)31-15-9-17-51-25-31)38-21-36(30-13-7-4-8-14-30)39(22-35(38)29-11-5-3-6-12-29)40-23-37(32-16-10-18-52-26-32)41(43(45,46)47)24-42(40)44(48,49)50/h3-26H,1-2H3.
What are the key properties of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?
3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine has a molecular weight of 700.73 g/mol, XLogP of 13.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-diphenylphenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 59609365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).