2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran

C58H52O — CID 89408926

IUPAC2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran
SMILESCc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1-c1ccc2oc3ccc(-c4c(-c5c(C)cccc5C)c(C)cc(C)c4-c4c(C)cccc4C)cc3c2c1
InChIInChI=1S/C58H52O/c1-33-16-11-17-34(2)51(33)45-24-15-25-46(52-35(3)18-12-19-36(52)4)57(45)43-26-28-49-47(31-43)48-32-44(27-29-50(48)59-49)58-55(53-37(5)20-13-21-38(53)6)41(9)30-42(10)56(58)54-39(7)22-14-23-40(54)8/h11-32H,1-10H3
InChIKeyQEJDZXWWUCCEIV-UHFFFAOYSA-N
MW765.05 g/mol
LogP16.67
Rot. Bonds6

About 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran

2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran (PubChem CID 89408926) has the molecular formula C58H52O and a molecular weight of 765.05 g/mol. Its IUPAC name is 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran
PubChem CID89408926
Molecular FormulaC58H52O
Molecular Weight765.05 g/mol
Exact Mass764.40
IUPAC Name2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran
SMILESCc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1-c1ccc2oc3ccc(-c4c(-c5c(C)cccc5C)c(C)cc(C)c4-c4c(C)cccc4C)cc3c2c1
InChIInChI=1S/C58H52O/c1-33-16-11-17-34(2)51(33)45-24-15-25-46(52-35(3)18-12-19-36(52)4)57(45)43-26-28-49-47(31-43)48-32-44(27-29-50(48)59-49)58-55(53-37(5)20-13-21-38(53)6)41(9)30-42(10)56(58)54-39(7)22-14-23-40(54)8/h11-32H,1-10H3
InChIKeyQEJDZXWWUCCEIV-UHFFFAOYSA-N
XLogP16.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.05
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran with MolForge

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Related Compounds

2-(2-methylphenyl)dibenzofuran
CID 118188503
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
CID 175613523
2-(1,2,3,4,5,6,7,8-octamethyl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 167651141
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
4-dibenzofuran-2-yl-3-methylaniline
CID 61025593
2-(10-dibenzofuran-2-ylanthracen-9-yl)-4-methylbenzene-1,3,5-triol
CID 163620543
9-dibenzofuran-2-yl-3-[4-methyl-3,5-bis(2-methylphenyl)phenyl]carbazole
CID 156734886
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran
CID 143904784
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran?
The IUPAC name of 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran (CID 89408926) is 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran.
What is the SMILES notation for 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran?
The canonical SMILES for 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran is Cc1cccc(C)c1-c1cccc(-c2c(C)cccc2C)c1-c1ccc2oc3ccc(-c4c(-c5c(C)cccc5C)c(C)cc(C)c4-c4c(C)cccc4C)cc3c2c1.
What is the InChIKey of 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran?
The InChIKey is QEJDZXWWUCCEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52O/c1-33-16-11-17-34(2)51(33)45-24-15-25-46(52-35(3)18-12-19-36(52)4)57(45)43-26-28-49-47(31-43)48-32-44(27-29-50(48)59-49)58-55(53-37(5)20-13-21-38(53)6)41(9)30-42(10)56(58)54-39(7)22-14-23-40(54)8/h11-32H,1-10H3.
What are the key properties of 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran?
2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran has a molecular weight of 765.05 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(2,6-dimethylphenyl)-3,5-dimethylphenyl]-8-[2,6-bis(2,6-dimethylphenyl)phenyl]dibenzofuran is sourced from PubChem (CID 89408926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).