5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran

C52H34O2 — CID 167402080

IUPAC5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=CC2C(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1
InChIInChI=1S/C52H34O2/c1-3-13-33(14-4-1)35-17-11-18-36(27-35)38-28-39(41-22-12-24-49-51(41)45-21-9-10-23-48(45)53-49)30-40(29-38)46-32-47-43-26-25-37(34-15-5-2-6-16-34)31-50(43)54-52(47)44-20-8-7-19-42(44)46/h1-32,42,44H
InChIKeyLSCKWQHNIZHVGS-UHFFFAOYSA-N
MW690.84 g/mol
LogP14.38
Rot. Bonds5

About 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran

5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 167402080) has the molecular formula C52H34O2 and a molecular weight of 690.84 g/mol. Its IUPAC name is 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID167402080
Molecular FormulaC52H34O2
Molecular Weight690.84 g/mol
Exact Mass690.26
IUPAC Name5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=CC2C(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1
InChIInChI=1S/C52H34O2/c1-3-13-33(14-4-1)35-17-11-18-36(27-35)38-28-39(41-22-12-24-49-51(41)45-21-9-10-23-48(45)53-49)30-40(29-38)46-32-47-43-26-25-37(34-15-5-2-6-16-34)31-50(43)54-52(47)44-20-8-7-19-42(44)46/h1-32,42,44H
InChIKeyLSCKWQHNIZHVGS-UHFFFAOYSA-N
XLogP14.38
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.84
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-naphthalen-2-yl-5-(6-phenylnaphthalen-2-yl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran
CID 167402211
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797978
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888

Frequently Asked Questions

What is the IUPAC name of 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran (CID 167402080) is 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran is C1=CC2C(c3cc(-c4cccc(-c5ccccc5)c4)cc(-c4cccc5oc6ccccc6c45)c3)=Cc3c(oc4cc(-c5ccccc5)ccc34)C2C=C1.
What is the InChIKey of 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is LSCKWQHNIZHVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O2/c1-3-13-33(14-4-1)35-17-11-18-36(27-35)38-28-39(41-22-12-24-49-51(41)45-21-9-10-23-48(45)53-49)30-40(29-38)46-32-47-43-26-25-37(34-15-5-2-6-16-34)31-50(43)54-52(47)44-20-8-7-19-42(44)46/h1-32,42,44H.
What are the key properties of 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran?
5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 690.84 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-9-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 167402080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).