3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran

C44H26O2 — CID 118488750

IUPAC3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)ccc1ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)cc12
InChIInChI=1S/C44H26O2/c1-2-8-35-27(7-1)13-14-28-15-16-29(24-40(28)35)32-21-33(30-17-19-38-36-9-3-5-11-41(36)45-43(38)25-30)23-34(22-32)31-18-20-39-37-10-4-6-12-42(37)46-44(39)26-31/h1-26H
InChIKeyUFFZQRKKHHWGGO-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran

3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran (PubChem CID 118488750) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran.

Molecular Properties

Compound Name3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
PubChem CID118488750
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran
SMILESc1ccc2c(c1)ccc1ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)cc12
InChIInChI=1S/C44H26O2/c1-2-8-35-27(7-1)13-14-28-15-16-29(24-40(28)35)32-21-33(30-17-19-38-36-9-3-5-11-41(36)45-43(38)25-30)23-34(22-32)31-18-20-39-37-10-4-6-12-42(37)46-44(39)26-31/h1-26H
InChIKeyUFFZQRKKHHWGGO-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_3', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-2-yldibenzofuran
CID 68932481
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
2-[3-chrysen-6-yl-5-(12-phenylchrysen-6-yl)phenyl]dibenzofuran
CID 58037141
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran?
The IUPAC name of 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran (CID 118488750) is 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran.
What is the SMILES notation for 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran?
The canonical SMILES for 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran is c1ccc2c(c1)ccc1ccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)cc12.
What is the InChIKey of 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran?
The InChIKey is UFFZQRKKHHWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-8-35-27(7-1)13-14-28-15-16-29(24-40(28)35)32-21-33(30-17-19-38-36-9-3-5-11-41(36)45-43(38)25-30)23-34(22-32)31-18-20-39-37-10-4-6-12-42(37)46-44(39)26-31/h1-26H.
What are the key properties of 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran?
3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran 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 3-(3-dibenzofuran-3-yl-5-phenanthren-3-ylphenyl)dibenzofuran is sourced from PubChem (CID 118488750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).