2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran

C44H26O2 — CID 174307533

IUPAC2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc3ccc4ccccc4c23)cc1
InChIInChI=1S/C44H26O2/c1-2-14-28(15-3-1)39-43-29-16-5-4-13-27(29)25-26-38(43)46-44(39)42-32-19-8-6-17-30(32)40(31-18-7-9-20-33(31)42)35-22-12-24-37-41(35)34-21-10-11-23-36(34)45-37/h1-26H
InChIKeyWFFFJOGGOBLOBC-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran

2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran (PubChem CID 174307533) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
PubChem CID174307533
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc3ccc4ccccc4c23)cc1
InChIInChI=1S/C44H26O2/c1-2-14-28(15-3-1)39-43-29-16-5-4-13-27(29)25-26-38(43)46-44(39)42-32-19-8-6-17-30(32)40(31-18-7-9-20-33(31)42)35-22-12-24-37-41(35)34-21-10-11-23-36(34)45-37/h1-26H
InChIKeyWFFFJOGGOBLOBC-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
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

1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
CID 174306635
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
3-phenyl-2-[12-(1-phenylnaphthalen-2-yl)tetracen-5-yl]-1-benzofuran
CID 88950753

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran?
The IUPAC name of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran (CID 174307533) is 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran?
The canonical SMILES for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran is c1ccc(-c2c(-c3c4ccccc4c(-c4cccc5oc6ccccc6c45)c4ccccc34)oc3ccc4ccccc4c23)cc1.
What is the InChIKey of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran?
The InChIKey is WFFFJOGGOBLOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-14-28(15-3-1)39-43-29-16-5-4-13-27(29)25-26-38(43)46-44(39)42-32-19-8-6-17-30(32)40(31-18-7-9-20-33(31)42)35-22-12-24-37-41(35)34-21-10-11-23-36(34)45-37/h1-26H.
What are the key properties of 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran?
2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran is sourced from PubChem (CID 174307533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).