1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran

C48H30O2 — CID 90265769

IUPAC1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)c1
InChIInChI=1S/C48H30O2/c1-3-23-43-41(19-1)47-39(21-9-25-45(47)49-43)37-17-7-15-35(29-37)33-13-5-11-31(27-33)32-12-6-14-34(28-32)36-16-8-18-38(30-36)40-22-10-26-46-48(40)42-20-2-4-24-44(42)50-46/h1-30H
InChIKeyAKSMCXKLGNJAIN-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.82
Rot. Bonds5

About 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran

1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran (PubChem CID 90265769) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
PubChem CID90265769
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
SMILESc1cc(-c2cccc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)c1
InChIInChI=1S/C48H30O2/c1-3-23-43-41(19-1)47-39(21-9-25-45(47)49-43)37-17-7-15-35(29-37)33-13-5-11-31(27-33)32-12-6-14-34(28-32)36-16-8-18-38(30-36)40-22-10-26-46-48(40)42-20-2-4-24-44(42)50-46/h1-30H
InChIKeyAKSMCXKLGNJAIN-UHFFFAOYSA-N
XLogP13.82
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
9-(3-dibenzofuran-1-ylphenyl)-10-(2,3,4,5,6,7,8-heptahydroxynaphthalen-1-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163573401
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran (CID 90265769) is 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran is c1cc(-c2cccc(-c3cccc(-c4cccc5oc6ccccc6c45)c3)c2)cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)c1.
What is the InChIKey of 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran?
The InChIKey is AKSMCXKLGNJAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c1-3-23-43-41(19-1)47-39(21-9-25-45(47)49-43)37-17-7-15-35(29-37)33-13-5-11-31(27-33)32-12-6-14-34(28-32)36-16-8-18-38(30-36)40-22-10-26-46-48(40)42-20-2-4-24-44(42)50-46/h1-30H.
What are the key properties of 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran?
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran has a molecular weight of 638.77 g/mol, XLogP of 13.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 90265769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).