4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine

C44H33F3N2 — CID 59609434

IUPAC4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1
InChIInChI=1S/C44H33F3N2/c1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-27H,1-3H3
InChIKeyKGQARACUYDMPIM-UHFFFAOYSA-N
MW646.76 g/mol
LogP12.42
Rot. Bonds6

About 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine

4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 59609434) has the molecular formula C44H33F3N2 and a molecular weight of 646.76 g/mol. Its IUPAC name is 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine
PubChem CID59609434
Molecular FormulaC44H33F3N2
Molecular Weight646.76 g/mol
Exact Mass646.26
IUPAC Name4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine
SMILESCc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1
InChIInChI=1S/C44H33F3N2/c1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-27H,1-3H3
InChIKeyKGQARACUYDMPIM-UHFFFAOYSA-N
XLogP12.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.76
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine (CID 59609434) is 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine is Cc1ccncc1-c1ccc(C)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)ccc3C(F)(F)F)cc2-c2ccccc2)c1.
What is the InChIKey of 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KGQARACUYDMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33F3N2/c1-28-14-15-33(41-26-48-20-18-29(41)2)22-35(28)38-24-37(32-12-8-5-9-13-32)39(25-36(38)31-10-6-4-7-11-31)40-23-34(16-17-43(40)44(45,46)47)42-27-49-21-19-30(42)3/h4-27H,1-3H3.
What are the key properties of 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine?
4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 646.76 g/mol, XLogP of 12.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 59609434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).