4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran

C52H34O2 — CID 58991809

IUPAC4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
SMILESCc1ccc(-c2c3ccc(-c4cccc5c4oc4ccccc45)cc3c(-c3ccc(C)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C52H34O2/c1-31-17-21-33(22-18-31)49-41-27-25-36(38-12-8-14-44-40-10-4-6-16-48(40)54-52(38)44)30-46(41)50(34-23-19-32(2)20-24-34)42-28-26-35(29-45(42)49)37-11-7-13-43-39-9-3-5-15-47(39)53-51(37)43/h3-30H,1-2H3
InChIKeyVZNLWFHLIFLPCJ-UHFFFAOYSA-N
MW690.84 g/mol
LogP15.08
Rot. Bonds4

About 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran

4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran (PubChem CID 58991809) has the molecular formula C52H34O2 and a molecular weight of 690.84 g/mol. Its IUPAC name is 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran.

Molecular Properties

Compound Name4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
PubChem CID58991809
Molecular FormulaC52H34O2
Molecular Weight690.84 g/mol
Exact Mass690.26
IUPAC Name4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
SMILESCc1ccc(-c2c3ccc(-c4cccc5c4oc4ccccc45)cc3c(-c3ccc(C)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C52H34O2/c1-31-17-21-33(22-18-31)49-41-27-25-36(38-12-8-14-44-40-10-4-6-16-48(40)54-52(38)44)30-46(41)50(34-23-19-32(2)20-24-34)42-28-26-35(29-45(42)49)37-11-7-13-43-39-9-3-5-15-47(39)53-51(37)43/h3-30H,1-2H3
InChIKeyVZNLWFHLIFLPCJ-UHFFFAOYSA-N
XLogP15.08
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.84
LogP ≤ 515.08
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-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323570
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746

Frequently Asked Questions

What is the IUPAC name of 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran?
The IUPAC name of 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran (CID 58991809) is 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran.
What is the SMILES notation for 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran?
The canonical SMILES for 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran is Cc1ccc(-c2c3ccc(-c4cccc5c4oc4ccccc45)cc3c(-c3ccc(C)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1.
What is the InChIKey of 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran?
The InChIKey is VZNLWFHLIFLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2/c1-31-17-21-33(22-18-31)49-41-27-25-36(38-12-8-14-44-40-10-4-6-16-48(40)54-52(38)44)30-46(41)50(34-23-19-32(2)20-24-34)42-28-26-35(29-45(42)49)37-11-7-13-43-39-9-3-5-15-47(39)53-51(37)43/h3-30H,1-2H3.
What are the key properties of 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran?
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran has a molecular weight of 690.84 g/mol, XLogP of 15.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran is sourced from PubChem (CID 58991809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).