2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine

C91H70N2O2 — CID 153295059

IUPAC2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4cccc(-c5cccc6c5oc5ccccc56)c4)c(C)c3C)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)ncc1-c1ccccc1
InChIInChI=1S/C91H70N2O2/c1-55-48-83(93-54-82(55)60-24-10-9-11-25-60)65-42-44-72(80(51-65)63-28-20-26-61(49-63)68-36-22-38-78-74-32-16-18-40-85(74)94-89(68)78)70-30-12-14-34-76(70)87-56(2)58(4)88(59(5)57(87)3)77-35-15-13-31-71(77)73-45-43-66(84-53-67(46-47-92-84)91(6,7)8)52-81(73)64-29-21-27-62(50-64)69-37-23-39-79-75-33-17-19-41-86(75)95-90(69)79/h9-54H,1-8H3
InChIKeyIBXOOAPYXXHRHO-UHFFFAOYSA-N
MW1223.57 g/mol
LogP25.45
Rot. Bonds11

About 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine

2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine (PubChem CID 153295059) has the molecular formula C91H70N2O2 and a molecular weight of 1223.57 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
PubChem CID153295059
Molecular FormulaC91H70N2O2
Molecular Weight1223.57 g/mol
Exact Mass1222.54
IUPAC Name2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4cccc(-c5cccc6c5oc5ccccc56)c4)c(C)c3C)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)ncc1-c1ccccc1
InChIInChI=1S/C91H70N2O2/c1-55-48-83(93-54-82(55)60-24-10-9-11-25-60)65-42-44-72(80(51-65)63-28-20-26-61(49-63)68-36-22-38-78-74-32-16-18-40-85(74)94-89(68)78)70-30-12-14-34-76(70)87-56(2)58(4)88(59(5)57(87)3)77-35-15-13-31-71(77)73-45-43-66(84-53-67(46-47-92-84)91(6,7)8)52-81(73)64-29-21-27-62(50-64)69-37-23-39-79-75-33-17-19-41-86(75)95-90(69)79/h9-54H,1-8H3
InChIKeyIBXOOAPYXXHRHO-UHFFFAOYSA-N
XLogP25.45
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.57
LogP ≤ 525.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine with MolForge

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Related Compounds

2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
CID 168766413
2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine
CID 165148841
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-3-dibenzofuran-1-ylphenyl]-4-tert-butylpyridine
CID 153448961
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
CID 169038906
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-4-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]-4-tert-butylpyridine;iridium(3+)
CID 140838377
8-(4-tert-butyl-2-pyridinyl)-4-phenyl-[1]benzofuro[2,3-c]pyridine
CID 155611309
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458209
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine?
The IUPAC name of 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine (CID 153295059) is 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3c(C)c(C)c(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4-c4cccc(-c5cccc6c5oc5ccccc56)c4)c(C)c3C)c(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)ncc1-c1ccccc1.
What is the InChIKey of 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine?
The InChIKey is IBXOOAPYXXHRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H70N2O2/c1-55-48-83(93-54-82(55)60-24-10-9-11-25-60)65-42-44-72(80(51-65)63-28-20-26-61(49-63)68-36-22-38-78-74-32-16-18-40-85(74)94-89(68)78)70-30-12-14-34-76(70)87-56(2)58(4)88(59(5)57(87)3)77-35-15-13-31-71(77)73-45-43-66(84-53-67(46-47-92-84)91(6,7)8)52-81(73)64-29-21-27-62(50-64)69-37-23-39-79-75-33-17-19-41-86(75)95-90(69)79/h9-54H,1-8H3.
What are the key properties of 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine?
2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine has a molecular weight of 1223.57 g/mol, XLogP of 25.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 153295059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).