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

C57H42O — CID 59136862

IUPAC4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccc(C)cc6)c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C57H42O/c1-38-19-23-40(24-20-38)46-9-5-11-48(35-46)42-27-31-44(32-28-42)56(45-33-29-43(30-34-45)49-12-6-10-47(36-49)41-25-21-39(2)22-26-41)51-14-7-13-50(37-51)52-16-8-17-54-53-15-3-4-18-55(53)58-57(52)54/h3-37,56H,1-2H3
InChIKeyHHGVHIPGCLRPBZ-UHFFFAOYSA-N
MW742.96 g/mol
LogP15.72
Rot. Bonds8

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

4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran (PubChem CID 59136862) has the molecular formula C57H42O and a molecular weight of 742.96 g/mol. Its IUPAC name is 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
PubChem CID59136862
Molecular FormulaC57H42O
Molecular Weight742.96 g/mol
Exact Mass742.32
IUPAC Name4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccc(C)cc6)c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C57H42O/c1-38-19-23-40(24-20-38)46-9-5-11-48(35-46)42-27-31-44(32-28-42)56(45-33-29-43(30-34-45)49-12-6-10-47(36-49)41-25-21-39(2)22-26-41)51-14-7-13-50(37-51)52-16-8-17-54-53-15-3-4-18-55(53)58-57(52)54/h3-37,56H,1-2H3
InChIKeyHHGVHIPGCLRPBZ-UHFFFAOYSA-N
XLogP15.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.96
LogP ≤ 515.72
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-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
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-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
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-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran
CID 59136907
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230

Frequently Asked Questions

What is the IUPAC name of 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran (CID 59136862) is 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran is Cc1ccc(-c2cccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccc(C)cc6)c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c2)cc1.
What is the InChIKey of 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran?
The InChIKey is HHGVHIPGCLRPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42O/c1-38-19-23-40(24-20-38)46-9-5-11-48(35-46)42-27-31-44(32-28-42)56(45-33-29-43(30-34-45)49-12-6-10-47(36-49)41-25-21-39(2)22-26-41)51-14-7-13-50(37-51)52-16-8-17-54-53-15-3-4-18-55(53)58-57(52)54/h3-37,56H,1-2H3.
What are the key properties of 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran?
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran has a molecular weight of 742.96 g/mol, XLogP of 15.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 59136862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).