2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol

C55H47FN2O2 — CID 170524453

IUPAC2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol
SMILESCc1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(F)c4O)n3)c2)n1
InChIInChI=1S/C55H47FN2O2/c1-33-25-39(43-20-13-22-45-44-21-12-19-42(52(44)60-53(43)45)34-15-9-8-10-16-34)31-48(57-33)35-17-11-18-36(26-35)49-29-38(30-50(58-49)46-23-14-24-47(56)51(46)59)37-27-40(54(2,3)4)32-41(28-37)55(5,6)7/h8-32,59H,1-7H3
InChIKeySWBITLYTUXVUBJ-UHFFFAOYSA-N
MW786.99 g/mol
LogP15.13
Rot. Bonds6

About 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol

2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol (PubChem CID 170524453) has the molecular formula C55H47FN2O2 and a molecular weight of 786.99 g/mol. Its IUPAC name is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol
PubChem CID170524453
Molecular FormulaC55H47FN2O2
Molecular Weight786.99 g/mol
Exact Mass786.36
IUPAC Name2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol
SMILESCc1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(F)c4O)n3)c2)n1
InChIInChI=1S/C55H47FN2O2/c1-33-25-39(43-20-13-22-45-44-21-12-19-42(52(44)60-53(43)45)34-15-9-8-10-16-34)31-48(57-33)35-17-11-18-36(26-35)49-29-38(30-50(58-49)46-23-14-24-47(56)51(46)59)37-27-40(54(2,3)4)32-41(28-37)55(5,6)7/h8-32,59H,1-7H3
InChIKeySWBITLYTUXVUBJ-UHFFFAOYSA-N
XLogP15.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.99
LogP ≤ 515.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-5-fluorophenol
CID 170524543
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
CID 170524522
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
2-methyl-6-[6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 170524476
2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170524330
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
18-(3,5-ditert-butylphenyl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348364
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-9,9-dimethylfluoren-3-ol;platinum
CID 170524337
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(3-phenylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542382
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
4-[3-[6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2-methyl-6-phenylpyrimidine
CID 123394368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol?
The IUPAC name of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol (CID 170524453) is 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol.
What is the SMILES notation for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol?
The canonical SMILES for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol is Cc1cc(-c2cccc3c2oc2c(-c4ccccc4)cccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(F)c4O)n3)c2)n1.
What is the InChIKey of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol?
The InChIKey is SWBITLYTUXVUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47FN2O2/c1-33-25-39(43-20-13-22-45-44-21-12-19-42(52(44)60-53(43)45)34-15-9-8-10-16-34)31-48(57-33)35-17-11-18-36(26-35)49-29-38(30-50(58-49)46-23-14-24-47(56)51(46)59)37-27-40(54(2,3)4)32-41(28-37)55(5,6)7/h8-32,59H,1-7H3.
What are the key properties of 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol?
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol has a molecular weight of 786.99 g/mol, XLogP of 15.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-methyl-4-(6-phenyldibenzofuran-4-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-6-fluorophenol is sourced from PubChem (CID 170524453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).