1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran

C26H18O2 — CID 175613523

IUPAC1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1cc2c(cc1-c1ccc3oc4cccc(C)c4c3c1)oc1ccccc12
InChIInChI=1S/C26H18O2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3
InChIKeyLHSRJKKEIXXPPJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP7.77
Rot. Bonds1

About 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran

1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran (PubChem CID 175613523) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran.

Molecular Properties

Compound Name1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
PubChem CID175613523
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran
SMILESCc1cc2c(cc1-c1ccc3oc4cccc(C)c4c3c1)oc1ccccc12
InChIInChI=1S/C26H18O2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3
InChIKeyLHSRJKKEIXXPPJ-UHFFFAOYSA-N
XLogP7.77
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
2-(2-methylphenyl)dibenzofuran
CID 118188503
4-dibenzofuran-2-yl-3-methylaniline
CID 61025593
4-(9-methyldibenzofuran-2-yl)pyridine
CID 146397344
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
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
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
CID 121323341
N-(2-dibenzofuran-2-ylphenyl)-N-[4-[4-[N,2-di(dibenzofuran-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]dibenzofuran-2-amine
CID 121323324
11,12,17-trimethyl-5,16-bis(8-phenyldibenzofuran-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 166501280

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran?
The IUPAC name of 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran (CID 175613523) is 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran.
What is the SMILES notation for 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran?
The canonical SMILES for 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran is Cc1cc2c(cc1-c1ccc3oc4cccc(C)c4c3c1)oc1ccccc12.
What is the InChIKey of 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran?
The InChIKey is LHSRJKKEIXXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-15-6-5-9-24-26(15)21-13-17(10-11-23(21)27-24)19-14-25-20(12-16(19)2)18-7-3-4-8-22(18)28-25/h3-14H,1-2H3.
What are the key properties of 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran?
1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran has a molecular weight of 362.43 g/mol, XLogP of 7.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methyldibenzofuran-3-yl)dibenzofuran is sourced from PubChem (CID 175613523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).