6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran

C66H48O3 — CID 130421072

IUPAC6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
SMILESCc1ccccc1-c1cccc2c1oc1ccc(-c3c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c3C)cc12
InChIInChI=1S/C66H48O3/c1-37-16-7-10-19-46(37)49-22-13-25-52-55-34-43(28-31-58(55)67-64(49)52)61-40(4)62(44-29-32-59-56(35-44)53-26-14-23-50(65(53)68-59)47-20-11-8-17-38(47)2)42(6)63(41(61)5)45-30-33-60-57(36-45)54-27-15-24-51(66(54)69-60)48-21-12-9-18-39(48)3/h7-36H,1-6H3
InChIKeyGMXUWMUSMXVDLY-UHFFFAOYSA-N
MW889.11 g/mol
LogP19.24
Rot. Bonds6

About 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran

6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran (PubChem CID 130421072) has the molecular formula C66H48O3 and a molecular weight of 889.11 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
PubChem CID130421072
Molecular FormulaC66H48O3
Molecular Weight889.11 g/mol
Exact Mass888.36
IUPAC Name6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
SMILESCc1ccccc1-c1cccc2c1oc1ccc(-c3c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c3C)cc12
InChIInChI=1S/C66H48O3/c1-37-16-7-10-19-46(37)49-22-13-25-52-55-34-43(28-31-58(55)67-64(49)52)61-40(4)62(44-29-32-59-56(35-44)53-26-14-23-50(65(53)68-59)47-20-11-8-17-38(47)2)42(6)63(41(61)5)45-30-33-60-57(36-45)54-27-15-24-51(66(54)69-60)48-21-12-9-18-39(48)3/h7-36H,1-6H3
InChIKeyGMXUWMUSMXVDLY-UHFFFAOYSA-N
XLogP19.24
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran with MolForge

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Related Compounds

2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
CID 130421155
2-(2-methylphenyl)dibenzofuran
CID 118188503
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
6-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163666775
8-[10-[4-(8-methylnaphthalen-2-yl)naphthalen-1-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 135183547
9-dibenzofuran-2-yl-10-dibenzofuran-4-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163557870
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran?
The IUPAC name of 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran (CID 130421072) is 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran.
What is the SMILES notation for 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran?
The canonical SMILES for 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran is Cc1ccccc1-c1cccc2c1oc1ccc(-c3c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c(C)c(-c4ccc5oc6c(-c7ccccc7C)cccc6c5c4)c3C)cc12.
What is the InChIKey of 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran?
The InChIKey is GMXUWMUSMXVDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48O3/c1-37-16-7-10-19-46(37)49-22-13-25-52-55-34-43(28-31-58(55)67-64(49)52)61-40(4)62(44-29-32-59-56(35-44)53-26-14-23-50(65(53)68-59)47-20-11-8-17-38(47)2)42(6)63(41(61)5)45-30-33-60-57(36-45)54-27-15-24-51(66(54)69-60)48-21-12-9-18-39(48)3/h7-36H,1-6H3.
What are the key properties of 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran?
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran has a molecular weight of 889.11 g/mol, XLogP of 19.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran is sourced from PubChem (CID 130421072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).