2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

C56H36O — CID 134164763

IUPAC2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C56H36O/c1-4-16-37(17-5-1)42-34-43(38-18-6-2-7-19-38)36-44(35-42)45-32-33-52-56(50-26-14-15-27-51(50)57-52)55(45)41-30-28-40(29-31-41)54-48-24-12-10-22-46(48)53(39-20-8-3-9-21-39)47-23-11-13-25-49(47)54/h1-36H
InChIKeyDLSYAJPUMFRMSB-UHFFFAOYSA-N
MW724.90 g/mol
LogP15.89
Rot. Bonds6

About 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 134164763) has the molecular formula C56H36O and a molecular weight of 724.90 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID134164763
Molecular FormulaC56H36O
Molecular Weight724.90 g/mol
Exact Mass724.28
IUPAC Name2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2)cc1
InChIInChI=1S/C56H36O/c1-4-16-37(17-5-1)42-34-43(38-18-6-2-7-19-38)36-44(35-42)45-32-33-52-56(50-26-14-15-27-51(50)57-52)55(45)41-30-28-40(29-31-41)54-48-24-12-10-22-46(48)53(39-20-8-3-9-21-39)47-23-11-13-25-49(47)54/h1-36H
InChIKeyDLSYAJPUMFRMSB-UHFFFAOYSA-N
XLogP15.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.90
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
2-dibenzofuran-3-yl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran;2-phenyl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 158553667
2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenyldibenzofuran
CID 140831320
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(2,3,4,5,6-pentadeuteriophenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662227
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
2-chloro-1-(3,5-diphenylphenyl)dibenzofuran
CID 177281427
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 134164763) is 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2)cc1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is DLSYAJPUMFRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36O/c1-4-16-37(17-5-1)42-34-43(38-18-6-2-7-19-38)36-44(35-42)45-32-33-52-56(50-26-14-15-27-51(50)57-52)55(45)41-30-28-40(29-31-41)54-48-24-12-10-22-46(48)53(39-20-8-3-9-21-39)47-23-11-13-25-49(47)54/h1-36H.
What are the key properties of 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 724.90 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 134164763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).