3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran

C58H34O3 — CID 170363981

IUPAC3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H34O3/c1-2-14-35(15-3-1)36-30-37(32-38(31-36)41-21-13-27-54-56(41)48-19-7-10-25-52(48)59-54)40-28-29-45(44-17-5-4-16-43(40)44)50-33-39(34-55-57(50)49-20-8-11-26-53(49)60-55)42-22-12-23-47-46-18-6-9-24-51(46)61-58(42)47/h1-34H
InChIKeyXLODZRKAYRZVIO-UHFFFAOYSA-N
MW778.91 g/mol
LogP16.87
Rot. Bonds5

About 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran

3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran (PubChem CID 170363981) has the molecular formula C58H34O3 and a molecular weight of 778.91 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
PubChem CID170363981
Molecular FormulaC58H34O3
Molecular Weight778.91 g/mol
Exact Mass778.25
IUPAC Name3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C58H34O3/c1-2-14-35(15-3-1)36-30-37(32-38(31-36)41-21-13-27-54-56(41)48-19-7-10-25-52(48)59-54)40-28-29-45(44-17-5-4-16-43(40)44)50-33-39(34-55-57(50)49-20-8-11-26-53(49)60-55)42-22-12-23-47-46-18-6-9-24-51(46)61-58(42)47/h1-34H
InChIKeyXLODZRKAYRZVIO-UHFFFAOYSA-N
XLogP16.87
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.91
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200545
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162495178
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
CID 170150566

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran (CID 170363981) is 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran is c1ccc(-c2cc(-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc5oc6ccccc6c45)c4ccccc34)cc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran?
The InChIKey is XLODZRKAYRZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O3/c1-2-14-35(15-3-1)36-30-37(32-38(31-36)41-21-13-27-54-56(41)48-19-7-10-25-52(48)59-54)40-28-29-45(44-17-5-4-16-43(40)44)50-33-39(34-55-57(50)49-20-8-11-26-53(49)60-55)42-22-12-23-47-46-18-6-9-24-51(46)61-58(42)47/h1-34H.
What are the key properties of 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran?
3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran has a molecular weight of 778.91 g/mol, XLogP of 16.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 170363981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).