2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

C55H36O2 — CID 59136885

IUPAC2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H36O2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-24-42(25-19-39)55(43-26-20-40(21-27-43)45-30-32-53-49(34-45)47-10-4-6-12-51(47)56-53)44-28-22-41(23-29-44)46-31-33-54-50(35-46)48-11-5-7-13-52(48)57-54/h1-35,55H
InChIKeyTVAFBFSQBMHRAX-UHFFFAOYSA-N
MW728.89 g/mol
LogP15.33
Rot. Bonds7

About 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (PubChem CID 59136885) has the molecular formula C55H36O2 and a molecular weight of 728.89 g/mol. Its IUPAC name is 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
PubChem CID59136885
Molecular FormulaC55H36O2
Molecular Weight728.89 g/mol
Exact Mass728.27
IUPAC Name2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H36O2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-24-42(25-19-39)55(43-26-20-40(21-27-43)45-30-32-53-49(34-45)47-10-4-6-12-51(47)56-53)44-28-22-41(23-29-44)46-31-33-54-50(35-46)48-11-5-7-13-52(48)57-54/h1-35,55H
InChIKeyTVAFBFSQBMHRAX-UHFFFAOYSA-N
XLogP15.33
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.89
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-bis[4-[phenyl-(4-phenylphenyl)methyl]phenyl]dibenzofuran
CID 162785544
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
CID 59136953
2-phenyl-8-(4-propan-2-ylphenyl)dibenzofuran
CID 67964002
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
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
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
3-[4-[4-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136900
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The IUPAC name of 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (CID 59136885) is 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The canonical SMILES for 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The InChIKey is TVAFBFSQBMHRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O2/c1-2-8-36(9-3-1)37-14-16-38(17-15-37)39-18-24-42(25-19-39)55(43-26-20-40(21-27-43)45-30-32-53-49(34-45)47-10-4-6-12-51(47)56-53)44-28-22-41(23-29-44)46-31-33-54-50(35-46)48-11-5-7-13-52(48)57-54/h1-35,55H.
What are the key properties of 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran has a molecular weight of 728.89 g/mol, XLogP of 15.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).