4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran

C36H22O2 — CID 122451689

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C36H22O2/c1-2-10-23(11-3-1)24-20-25(27-14-8-16-31-29-12-4-6-18-33(29)37-35(27)31)22-26(21-24)28-15-9-17-32-30-13-5-7-19-34(30)38-36(28)32/h1-22H
InChIKeyIRZOYNSLOMXDHF-UHFFFAOYSA-N
MW486.57 g/mol
LogP10.49
Rot. Bonds3

About 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran

4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran (PubChem CID 122451689) has the molecular formula C36H22O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
PubChem CID122451689
Molecular FormulaC36H22O2
Molecular Weight486.57 g/mol
Exact Mass486.16
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C36H22O2/c1-2-10-23(11-3-1)24-20-25(27-14-8-16-31-29-12-4-6-18-33(29)37-35(27)31)22-26(21-24)28-15-9-17-32-30-13-5-7-19-34(30)38-36(28)32/h1-22H
InChIKeyIRZOYNSLOMXDHF-UHFFFAOYSA-N
XLogP10.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
3-dibenzofuran-4-yl-1-[4-(3-dibenzofuran-1-yl-5-phenylphenyl)naphthalen-1-yl]dibenzofuran
CID 170363981
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
2-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenylbenzonitrile
CID 146353744
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran (CID 122451689) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran?
The InChIKey is IRZOYNSLOMXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22O2/c1-2-10-23(11-3-1)24-20-25(27-14-8-16-31-29-12-4-6-18-33(29)37-35(27)31)22-26(21-24)28-15-9-17-32-30-13-5-7-19-34(30)38-36(28)32/h1-22H.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran has a molecular weight of 486.57 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran is sourced from PubChem (CID 122451689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).