2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran

C55H38O2 — CID 167306884

IUPAC2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc6oc7ccc(C8CCCC8)cc7c6c5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C55H38O2/c1-2-13-34(14-3-1)36-17-12-18-39(29-36)53-41-19-6-8-21-43(41)54(44-22-9-7-20-42(44)53)48-32-40(33-52-55(48)45-23-10-11-24-49(45)57-52)38-26-28-51-47(31-38)46-30-37(25-27-50(46)56-51)35-15-4-5-16-35/h1-3,6-14,17-33,35H,4-5,15-16H2
InChIKeyHVLILACVYICIIA-UHFFFAOYSA-N
MW730.91 g/mol
LogP16.12
Rot. Bonds5

About 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran

2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran (PubChem CID 167306884) has the molecular formula C55H38O2 and a molecular weight of 730.91 g/mol. Its IUPAC name is 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran.

Molecular Properties

Compound Name2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran
PubChem CID167306884
Molecular FormulaC55H38O2
Molecular Weight730.91 g/mol
Exact Mass730.29
IUPAC Name2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc6oc7ccc(C8CCCC8)cc7c6c5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C55H38O2/c1-2-13-34(14-3-1)36-17-12-18-39(29-36)53-41-19-6-8-21-43(41)54(44-22-9-7-20-42(44)53)48-32-40(33-52-55(48)45-23-10-11-24-49(45)57-52)38-26-28-51-47(31-38)46-30-37(25-27-50(46)56-51)35-15-4-5-16-35/h1-3,6-14,17-33,35H,4-5,15-16H2
InChIKeyHVLILACVYICIIA-UHFFFAOYSA-N
XLogP16.12
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 516.12
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

3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
CID 58323521
2-cyclohexyldibenzofuran
CID 163628573
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
12-(10-dibenzofuran-2-ylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 122426682
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran?
The IUPAC name of 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran (CID 167306884) is 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran.
What is the SMILES notation for 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran?
The canonical SMILES for 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran is c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc(-c5ccc6oc7ccc(C8CCCC8)cc7c6c5)cc5oc6ccccc6c45)c4ccccc34)c2)cc1.
What is the InChIKey of 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran?
The InChIKey is HVLILACVYICIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38O2/c1-2-13-34(14-3-1)36-17-12-18-39(29-36)53-41-19-6-8-21-43(41)54(44-22-9-7-20-42(44)53)48-32-40(33-52-55(48)45-23-10-11-24-49(45)57-52)38-26-28-51-47(31-38)46-30-37(25-27-50(46)56-51)35-15-4-5-16-35/h1-3,6-14,17-33,35H,4-5,15-16H2.
What are the key properties of 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran?
2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran has a molecular weight of 730.91 g/mol, XLogP of 16.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran is sourced from PubChem (CID 167306884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).