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

C61H42O — CID 59137078

IUPAC4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C61H42O/c1-3-12-42(13-4-1)44-24-28-46(29-25-44)48-32-36-50(37-33-48)60(51-38-34-49(35-39-51)47-30-26-45(27-31-47)43-14-5-2-6-15-43)55-19-10-17-53(41-55)52-16-9-18-54(40-52)56-21-11-22-58-57-20-7-8-23-59(57)62-61(56)58/h1-41,60H
InChIKeyAWTAPULIXJFLJQ-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.77
Rot. Bonds9

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

4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (PubChem CID 59137078) has the molecular formula C61H42O and a molecular weight of 791.01 g/mol. Its IUPAC name is 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
PubChem CID59137078
Molecular FormulaC61H42O
Molecular Weight791.01 g/mol
Exact Mass790.32
IUPAC Name4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)cc3)cc2)cc1
InChIInChI=1S/C61H42O/c1-3-12-42(13-4-1)44-24-28-46(29-25-44)48-32-36-50(37-33-48)60(51-38-34-49(35-39-51)47-30-26-45(27-31-47)43-14-5-2-6-15-43)55-19-10-17-53(41-55)52-16-9-18-54(40-52)56-21-11-22-58-57-20-7-8-23-59(57)62-61(56)58/h1-41,60H
InChIKeyAWTAPULIXJFLJQ-UHFFFAOYSA-N
XLogP16.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.77
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-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
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-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
4-[4-[3-[(4-phenylnaphthalen-1-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136822
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[4-[1-(4-phenylphenyl)ethyl]phenyl]dibenzofuran
CID 174178014
4-[4-[phenanthren-9-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136825
4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 159495965

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran (CID 59137078) is 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
The InChIKey is AWTAPULIXJFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42O/c1-3-12-42(13-4-1)44-24-28-46(29-25-44)48-32-36-50(37-33-48)60(51-38-34-49(35-39-51)47-30-26-45(27-31-47)43-14-5-2-6-15-43)55-19-10-17-53(41-55)52-16-9-18-54(40-52)56-21-11-22-58-57-20-7-8-23-59(57)62-61(56)58/h1-41,60H.
What are the key properties of 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran?
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran has a molecular weight of 791.01 g/mol, XLogP of 16.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 59137078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).