2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran

C56H36O — CID 58261864

IUPAC2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C56H36O/c1-4-15-37(16-5-1)40-21-14-22-41(31-40)44-32-45(34-46(33-44)43-28-30-54-51(35-43)47-23-12-13-26-53(47)57-54)42-27-29-50-52(36-42)56(39-19-8-3-9-20-39)49-25-11-10-24-48(49)55(50)38-17-6-2-7-18-38/h1-36H
InChIKeyDONWSYQLAYOSOE-UHFFFAOYSA-N
MW724.90 g/mol
LogP15.89
Rot. Bonds6

About 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran

2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran (PubChem CID 58261864) has the molecular formula C56H36O and a molecular weight of 724.90 g/mol. Its IUPAC name is 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
PubChem CID58261864
Molecular FormulaC56H36O
Molecular Weight724.90 g/mol
Exact Mass724.28
IUPAC Name2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C56H36O/c1-4-15-37(16-5-1)40-21-14-22-41(31-40)44-32-45(34-46(33-44)43-28-30-54-51(35-43)47-23-12-13-26-53(47)57-54)42-27-29-50-52(36-42)56(39-19-8-3-9-20-39)49-25-11-10-24-48(49)55(50)38-17-6-2-7-18-38/h1-36H
InChIKeyDONWSYQLAYOSOE-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

7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
2-[3-[9-(4-tert-butylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran;2-[3-(9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran;2-[3-[9-(4-methylphenyl)-10-phenylanthracen-2-yl]phenyl]dibenzofuran
CID 161222040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran?
The IUPAC name of 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran (CID 58261864) is 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran is c1ccc(-c2cccc(-c3cc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)c2)cc1.
What is the InChIKey of 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran?
The InChIKey is DONWSYQLAYOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36O/c1-4-15-37(16-5-1)40-21-14-22-41(31-40)44-32-45(34-46(33-44)43-28-30-54-51(35-43)47-23-12-13-26-53(47)57-54)42-27-29-50-52(36-42)56(39-19-8-3-9-20-39)49-25-11-10-24-48(49)55(50)38-17-6-2-7-18-38/h1-36H.
What are the key properties of 2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran?
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)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-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 58261864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).