7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran

C54H42O2 — CID 139505201

IUPAC7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran
SMILESCC(C)c1cccc(-c2ccc(-c3ccc4oc5cc(CC(C)c6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6)ccc5c4c3)cc2)c1
InChIInChI=1S/C54H42O2/c1-34(2)41-9-6-11-43(31-41)37-18-20-39(21-19-37)45-26-28-52-50(33-45)48-27-17-36(30-53(48)55-52)29-35(3)42-10-7-12-44(32-42)38-22-24-40(25-23-38)46-14-8-15-49-47-13-4-5-16-51(47)56-54(46)49/h4-28,30-35H,29H2,1-3H3
InChIKeyBZIFCXXUXZNHII-UHFFFAOYSA-N
MW722.93 g/mol
LogP15.62
Rot. Bonds8

About 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran

7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran (PubChem CID 139505201) has the molecular formula C54H42O2 and a molecular weight of 722.93 g/mol. Its IUPAC name is 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran
PubChem CID139505201
Molecular FormulaC54H42O2
Molecular Weight722.93 g/mol
Exact Mass722.32
IUPAC Name7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran
SMILESCC(C)c1cccc(-c2ccc(-c3ccc4oc5cc(CC(C)c6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6)ccc5c4c3)cc2)c1
InChIInChI=1S/C54H42O2/c1-34(2)41-9-6-11-43(31-41)37-18-20-39(21-19-37)45-26-28-52-50(33-45)48-27-17-36(30-53(48)55-52)29-35(3)42-10-7-12-44(32-42)38-22-24-40(25-23-38)46-14-8-15-49-47-13-4-5-16-51(47)56-54(46)49/h4-28,30-35H,29H2,1-3H3
InChIKeyBZIFCXXUXZNHII-UHFFFAOYSA-N
XLogP15.62
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.93
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran 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

2-[2-[3-[7-[2-(3-dibenzofuran-3-ylphenyl)propyl]dibenzofuran-2-yl]phenyl]propyl]-6-(3-propan-2-ylphenyl)dibenzofuran
CID 139504974
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018
2-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran;4-[4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 157495963
2-naphthalen-1-yl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-naphthalen-1-yl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-phenyl-8-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;3-phenyl-7-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;4-phenyl-6-[4-(4-propan-2-ylphenyl)phenyl]dibenzofuran;2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylphenyl)naphthalen-1-yl]dibenzofuran
CID 159241387
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
14-(4-dibenzofuran-2-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(4-dibenzofuran-4-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 158620457
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran;7-phenyl-2-propan-2-yldibenzofuran
CID 164972910
2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
CID 165014569

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran?
The IUPAC name of 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran (CID 139505201) is 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran is CC(C)c1cccc(-c2ccc(-c3ccc4oc5cc(CC(C)c6cccc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6)ccc5c4c3)cc2)c1.
What is the InChIKey of 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran?
The InChIKey is BZIFCXXUXZNHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42O2/c1-34(2)41-9-6-11-43(31-41)37-18-20-39(21-19-37)45-26-28-52-50(33-45)48-27-17-36(30-53(48)55-52)29-35(3)42-10-7-12-44(32-42)38-22-24-40(25-23-38)46-14-8-15-49-47-13-4-5-16-51(47)56-54(46)49/h4-28,30-35H,29H2,1-3H3.
What are the key properties of 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran?
7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran has a molecular weight of 722.93 g/mol, XLogP of 15.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-dibenzofuran-4-ylphenyl)phenyl]propyl]-2-[4-(3-propan-2-ylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 139505201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).