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

C50H46N2O2 — CID 170524522

IUPAC2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
SMILESCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(C)c4O)n3)c2)n1
InChIInChI=1S/C50H46N2O2/c1-30-14-11-20-42(47(30)53)45-27-35(34-24-37(49(3,4)5)29-38(25-34)50(6,7)8)26-44(52-45)33-16-12-15-32(23-33)43-28-36(22-31(2)51-43)39-18-13-19-41-40-17-9-10-21-46(40)54-48(39)41/h9-29,53H,1-8H3
InChIKeyBPORNETXPJQPJA-UHFFFAOYSA-N
MW706.93 g/mol
LogP13.63
Rot. Bonds5

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

2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol (PubChem CID 170524522) has the molecular formula C50H46N2O2 and a molecular weight of 706.93 g/mol. Its IUPAC name is 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol.

Molecular Properties

Compound Name2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
PubChem CID170524522
Molecular FormulaC50H46N2O2
Molecular Weight706.93 g/mol
Exact Mass706.36
IUPAC Name2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol
SMILESCc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(C)c4O)n3)c2)n1
InChIInChI=1S/C50H46N2O2/c1-30-14-11-20-42(47(30)53)45-27-35(34-24-37(49(3,4)5)29-38(25-34)50(6,7)8)26-44(52-45)33-16-12-15-32(23-33)43-28-36(22-31(2)51-43)39-18-13-19-41-40-17-9-10-21-46(40)54-48(39)41/h9-29,53H,1-8H3
InChIKeyBPORNETXPJQPJA-UHFFFAOYSA-N
XLogP13.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 513.63
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]-6-fluorophenol
CID 170524453
2-[6-[3-[4-(4-dibenzofuran-4-ylphenyl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 170524324
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-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170524330
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
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-2-methylisoindol-1-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
CID 170524292
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-[6-[3-[4-(3-dibenzofuran-3-yl-1-propan-2-ylindol-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-6-methylphenol
CID 170524508
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-dibenzofuran-4-yl-4-methyl-6-phenylpyrimidine
CID 153287816
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol?
The IUPAC name of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol (CID 170524522) is 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol.
What is the SMILES notation for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol?
The canonical SMILES for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol is Cc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4cccc(C)c4O)n3)c2)n1.
What is the InChIKey of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol?
The InChIKey is BPORNETXPJQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N2O2/c1-30-14-11-20-42(47(30)53)45-27-35(34-24-37(49(3,4)5)29-38(25-34)50(6,7)8)26-44(52-45)33-16-12-15-32(23-33)43-28-36(22-31(2)51-43)39-18-13-19-41-40-17-9-10-21-46(40)54-48(39)41/h9-29,53H,1-8H3.
What are the key properties of 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol?
2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol has a molecular weight of 706.93 g/mol, XLogP of 13.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-dibenzofuran-4-yl-6-methyl-2-pyridinyl)phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]-6-methylphenol is sourced from PubChem (CID 170524522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).