4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

C55H38O — CID 59137016

IUPAC4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C55H38O/c1-3-12-38(13-4-1)46-16-9-18-48(36-46)40-24-30-43(31-25-40)54(44-32-26-41(27-33-44)49-19-10-17-47(37-49)39-14-5-2-6-15-39)45-34-28-42(29-35-45)50-21-11-22-52-51-20-7-8-23-53(51)56-55(50)52/h1-37,54H
InChIKeyVCZVKRYHKLLMHM-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.10
Rot. Bonds8

About 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (PubChem CID 59137016) has the molecular formula C55H38O and a molecular weight of 714.91 g/mol. Its IUPAC name is 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
PubChem CID59137016
Molecular FormulaC55H38O
Molecular Weight714.91 g/mol
Exact Mass714.29
IUPAC Name4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C55H38O/c1-3-12-38(13-4-1)46-16-9-18-48(36-46)40-24-30-43(31-25-40)54(44-32-26-41(27-33-44)49-19-10-17-47(37-49)39-14-5-2-6-15-39)45-34-28-42(29-35-45)50-21-11-22-52-51-20-7-8-23-53(51)56-55(50)52/h1-37,54H
InChIKeyVCZVKRYHKLLMHM-UHFFFAOYSA-N
XLogP15.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178

Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (CID 59137016) is 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is c1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The InChIKey is VCZVKRYHKLLMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38O/c1-3-12-38(13-4-1)46-16-9-18-48(36-46)40-24-30-43(31-25-40)54(44-32-26-41(27-33-44)49-19-10-17-47(37-49)39-14-5-2-6-15-39)45-34-28-42(29-35-45)50-21-11-22-52-51-20-7-8-23-53(51)56-55(50)52/h1-37,54H.
What are the key properties of 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran has a molecular weight of 714.91 g/mol, XLogP of 15.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 59137016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).