4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran

C50H30O2 — CID 155333147

IUPAC4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c2)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-15-8-16-33(29-32)48-38-21-9-19-34(40-23-11-25-42-36-17-4-6-27-46(36)51-49(40)42)44(38)30-45-35(20-10-22-39(45)48)41-24-12-26-43-37-18-5-7-28-47(37)52-50(41)43/h1-30H
InChIKeyRHUXPWRDEFOFIF-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran

4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran (PubChem CID 155333147) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
PubChem CID155333147
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c2)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-15-8-16-33(29-32)48-38-21-9-19-34(40-23-11-25-42-36-17-4-6-27-46(36)51-49(40)42)44(38)30-45-35(20-10-22-39(45)48)41-24-12-26-43-37-18-5-7-28-47(37)52-50(41)43/h1-30H
InChIKeyRHUXPWRDEFOFIF-UHFFFAOYSA-N
XLogP14.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
2-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740

Frequently Asked Questions

What is the IUPAC name of 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran (CID 155333147) is 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran is c1ccc(-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c2)cc1.
What is the InChIKey of 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran?
The InChIKey is RHUXPWRDEFOFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-13-31(14-3-1)32-15-8-16-33(29-32)48-38-21-9-19-34(40-23-11-25-42-36-17-4-6-27-46(36)51-49(40)42)44(38)30-45-35(20-10-22-39(45)48)41-24-12-26-43-37-18-5-7-28-47(37)52-50(41)43/h1-30H.
What are the key properties of 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran?
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155333147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).