4-(9,10-diphenylanthracen-2-yl)dibenzofuran

C38H24O — CID 58991794

IUPAC4-(9,10-diphenylanthracen-2-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C38H24O/c1-3-12-25(13-4-1)36-30-17-7-8-18-31(30)37(26-14-5-2-6-15-26)34-24-27(22-23-32(34)36)28-19-11-20-33-29-16-9-10-21-35(29)39-38(28)33/h1-24H
InChIKeyCVNNWMZLZHJWKG-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.89
Rot. Bonds3

About 4-(9,10-diphenylanthracen-2-yl)dibenzofuran

4-(9,10-diphenylanthracen-2-yl)dibenzofuran (PubChem CID 58991794) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-(9,10-diphenylanthracen-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(9,10-diphenylanthracen-2-yl)dibenzofuran
PubChem CID58991794
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name4-(9,10-diphenylanthracen-2-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C38H24O/c1-3-12-25(13-4-1)36-30-17-7-8-18-31(30)37(26-14-5-2-6-15-26)34-24-27(22-23-32(34)36)28-19-11-20-33-29-16-9-10-21-35(29)39-38(28)33/h1-24H
InChIKeyCVNNWMZLZHJWKG-UHFFFAOYSA-N
XLogP10.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.89
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

4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156561
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
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
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenylanthracen-2-yl)dibenzofuran?
The IUPAC name of 4-(9,10-diphenylanthracen-2-yl)dibenzofuran (CID 58991794) is 4-(9,10-diphenylanthracen-2-yl)dibenzofuran.
What is the SMILES notation for 4-(9,10-diphenylanthracen-2-yl)dibenzofuran?
The canonical SMILES for 4-(9,10-diphenylanthracen-2-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc23)cc1.
What is the InChIKey of 4-(9,10-diphenylanthracen-2-yl)dibenzofuran?
The InChIKey is CVNNWMZLZHJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-3-12-25(13-4-1)36-30-17-7-8-18-31(30)37(26-14-5-2-6-15-26)34-24-27(22-23-32(34)36)28-19-11-20-33-29-16-9-10-21-35(29)39-38(28)33/h1-24H.
What are the key properties of 4-(9,10-diphenylanthracen-2-yl)dibenzofuran?
4-(9,10-diphenylanthracen-2-yl)dibenzofuran has a molecular weight of 496.61 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenylanthracen-2-yl)dibenzofuran is sourced from PubChem (CID 58991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).