2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine

C48H50F2N4 — CID 118857304

IUPAC2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C48H50F2N4/c1-29-26-40(34-20-25-38-39(27-34)47(10,11)48(49,50)46(38,8)9)51-28-37(29)30-12-14-31(15-13-30)41-52-42(32-16-21-35(22-17-32)44(2,3)4)54-43(53-41)33-18-23-36(24-19-33)45(5,6)7/h12-28H,1-11H3
InChIKeyOLKVWGOMXIZPFV-UHFFFAOYSA-N
MW720.95 g/mol
LogP12.71
Rot. Bonds5

About 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine

2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine (PubChem CID 118857304) has the molecular formula C48H50F2N4 and a molecular weight of 720.95 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine
PubChem CID118857304
Molecular FormulaC48H50F2N4
Molecular Weight720.95 g/mol
Exact Mass720.40
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C48H50F2N4/c1-29-26-40(34-20-25-38-39(27-34)47(10,11)48(49,50)46(38,8)9)51-28-37(29)30-12-14-31(15-13-30)41-52-42(32-16-21-35(22-17-32)44(2,3)4)54-43(53-41)33-18-23-36(24-19-33)45(5,6)7/h12-28H,1-11H3
InChIKeyOLKVWGOMXIZPFV-UHFFFAOYSA-N
XLogP12.71
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.95
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine (CID 118857304) is 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine is Cc1cc(-c2ccc3c(c2)C(C)(C)C(F)(F)C3(C)C)ncc1-c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine?
The InChIKey is OLKVWGOMXIZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50F2N4/c1-29-26-40(34-20-25-38-39(27-34)47(10,11)48(49,50)46(38,8)9)51-28-37(29)30-12-14-31(15-13-30)41-52-42(32-16-21-35(22-17-32)44(2,3)4)54-43(53-41)33-18-23-36(24-19-33)45(5,6)7/h12-28H,1-11H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine?
2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine has a molecular weight of 720.95 g/mol, XLogP of 12.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-[4-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-4-methyl-3-pyridinyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 118857304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).