4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran

C58H42O2 — CID 167122557

IUPAC4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccccc3)c(CCC(Cc3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C58H42O2/c1-3-13-40(14-4-1)46-35-36-48(42-15-5-2-6-16-42)47(38-46)34-33-45(41-29-31-44(32-30-41)50-20-12-22-54-52-18-8-10-24-56(52)60-58(50)54)37-39-25-27-43(28-26-39)49-19-11-21-53-51-17-7-9-23-55(51)59-57(49)53/h1-32,35-36,38,45H,33-34,37H2
InChIKeyUOHXZJLMZLNLFF-UHFFFAOYSA-N
MW770.97 g/mol
LogP16.11
Rot. Bonds10

About 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran

4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran (PubChem CID 167122557) has the molecular formula C58H42O2 and a molecular weight of 770.97 g/mol. Its IUPAC name is 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran
PubChem CID167122557
Molecular FormulaC58H42O2
Molecular Weight770.97 g/mol
Exact Mass770.32
IUPAC Name4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccccc3)c(CCC(Cc3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C58H42O2/c1-3-13-40(14-4-1)46-35-36-48(42-15-5-2-6-16-42)47(38-46)34-33-45(41-29-31-44(32-30-41)50-20-12-22-54-52-18-8-10-24-56(52)60-58(50)54)37-39-25-27-43(28-26-39)49-19-11-21-53-51-17-7-9-23-55(51)59-57(49)53/h1-32,35-36,38,45H,33-34,37H2
InChIKeyUOHXZJLMZLNLFF-UHFFFAOYSA-N
XLogP16.11
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.97
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran with MolForge

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Related Compounds

4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
4-[4-[4-(4-dibenzothiophen-2-ylphenyl)-1-naphthalen-1-ylbutan-2-yl]phenyl]dibenzofuran
CID 166879194
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
CID 138462036
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran (CID 167122557) is 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccccc3)c(CCC(Cc3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran?
The InChIKey is UOHXZJLMZLNLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42O2/c1-3-13-40(14-4-1)46-35-36-48(42-15-5-2-6-16-42)47(38-46)34-33-45(41-29-31-44(32-30-41)50-20-12-22-54-52-18-8-10-24-56(52)60-58(50)54)37-39-25-27-43(28-26-39)49-19-11-21-53-51-17-7-9-23-55(51)59-57(49)53/h1-32,35-36,38,45H,33-34,37H2.
What are the key properties of 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran?
4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran has a molecular weight of 770.97 g/mol, XLogP of 16.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-dibenzofuran-4-ylphenyl)-4-(2,5-diphenylphenyl)butan-2-yl]phenyl]dibenzofuran is sourced from PubChem (CID 167122557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).