6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran

C96H66O6 — CID 161457454

IUPAC6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
SMILESCc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)c3oc4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)cc3c2oc2ccccc23)c1.Cc1cccc2c1oc1ccc(-c3cccc(-c4ccc5oc6c(C)cccc6c5c4)c3)cc12
InChIInChI=1S/3C32H22O2/c1-19-6-3-10-25-27-17-23(12-14-29(27)33-31(19)25)21-8-5-9-22(16-21)24-13-15-30-28(18-24)26-11-4-7-20(2)32(26)34-30;1-19-6-5-7-22(14-19)25-17-23(18-28-24-8-3-4-9-29(24)34-32(25)28)21-11-13-31-27(16-21)26-15-20(2)10-12-30(26)33-31;1-19-6-5-7-21(14-19)23-17-25(32-28(18-23)24-8-3-4-9-29(24)34-32)22-11-13-31-27(16-22)26-15-20(2)10-12-30(26)33-31/h3*3-18H,1-2H3
InChIKeyWBIQMYHAUKACAX-UHFFFAOYSA-N
MW1315.58 g/mol
LogP28.31
Rot. Bonds6

About 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran

6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran (PubChem CID 161457454) has the molecular formula C96H66O6 and a molecular weight of 1315.58 g/mol. Its IUPAC name is 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran.

Molecular Properties

Compound Name6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
PubChem CID161457454
Molecular FormulaC96H66O6
Molecular Weight1315.58 g/mol
Exact Mass1314.49
IUPAC Name6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
SMILESCc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)c3oc4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)cc3c2oc2ccccc23)c1.Cc1cccc2c1oc1ccc(-c3cccc(-c4ccc5oc6c(C)cccc6c5c4)c3)cc12
InChIInChI=1S/3C32H22O2/c1-19-6-3-10-25-27-17-23(12-14-29(27)33-31(19)25)21-8-5-9-22(16-21)24-13-15-30-28(18-24)26-11-4-7-20(2)32(26)34-30;1-19-6-5-7-22(14-19)25-17-23(18-28-24-8-3-4-9-29(24)34-32(25)28)21-11-13-31-27(16-21)26-15-20(2)10-12-30(26)33-31;1-19-6-5-7-21(14-19)23-17-25(32-28(18-23)24-8-3-4-9-29(24)34-32)22-11-13-31-27(16-22)26-15-20(2)10-12-30(26)33-31/h3*3-18H,1-2H3
InChIKeyWBIQMYHAUKACAX-UHFFFAOYSA-N
XLogP28.31
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.58
LogP ≤ 528.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran with MolForge

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Related Compounds

methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
2-[3-methyl-4-[3-methyl-5-(2-phenyldibenzofuran-4-yl)phenyl]phenyl]-4-[3-[4-[4-(3-methylphenyl)dibenzofuran-2-yl]phenyl]phenyl]dibenzofuran
CID 123626213
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159346875
2,4-di(dibenzofuran-2-yl)-6-(3-methylphenyl)benzonitrile
CID 146353730
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
CID 158698987
3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 123689963
1-methyl-4-phenyldibenzofuran;1-methyl-6-phenyldibenzofuran;2-(4-methylphenyl)dibenzofuran;2-methyl-4-phenyldibenzofuran;2-methyl-6-phenyldibenzofuran;3-methyl-4-phenyldibenzofuran;3-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzofuran
CID 158562834
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran?
The IUPAC name of 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran (CID 161457454) is 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran.
What is the SMILES notation for 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran?
The canonical SMILES for 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran is Cc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)c3oc4ccccc4c3c2)c1.Cc1cccc(-c2cc(-c3ccc4oc5ccc(C)cc5c4c3)cc3c2oc2ccccc23)c1.Cc1cccc2c1oc1ccc(-c3cccc(-c4ccc5oc6c(C)cccc6c5c4)c3)cc12.
What is the InChIKey of 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran?
The InChIKey is WBIQMYHAUKACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H22O2/c1-19-6-3-10-25-27-17-23(12-14-29(27)33-31(19)25)21-8-5-9-22(16-21)24-13-15-30-28(18-24)26-11-4-7-20(2)32(26)34-30;1-19-6-5-7-22(14-19)25-17-23(18-28-24-8-3-4-9-29(24)34-32(25)28)21-11-13-31-27(16-21)26-15-20(2)10-12-30(26)33-31;1-19-6-5-7-21(14-19)23-17-25(32-28(18-23)24-8-3-4-9-29(24)34-32)22-11-13-31-27(16-22)26-15-20(2)10-12-30(26)33-31/h3*3-18H,1-2H3.
What are the key properties of 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran?
6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran has a molecular weight of 1315.58 g/mol, XLogP of 28.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran is sourced from PubChem (CID 161457454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).