6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran

C34H22O4 — CID 145031024

IUPAC6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
SMILESCc1cccc(-c2cc3cc4cc(-c5cc6cc7cc(-c8cccc(C)c8)oc7cc6o5)oc4cc3o2)c1
InChIInChI=1S/C34H22O4/c1-19-5-3-7-21(9-19)27-13-23-11-25-15-33(37-31(25)17-29(23)35-27)34-16-26-12-24-14-28(22-8-4-6-20(2)10-22)36-30(24)18-32(26)38-34/h3-18H,1-2H3
InChIKeyMIBSGLAJWHJWQM-UHFFFAOYSA-N
MW494.55 g/mol
LogP10.29
Rot. Bonds3

About 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran

6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran (PubChem CID 145031024) has the molecular formula C34H22O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
PubChem CID145031024
Molecular FormulaC34H22O4
Molecular Weight494.55 g/mol
Exact Mass494.15
IUPAC Name6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran
SMILESCc1cccc(-c2cc3cc4cc(-c5cc6cc7cc(-c8cccc(C)c8)oc7cc6o5)oc4cc3o2)c1
InChIInChI=1S/C34H22O4/c1-19-5-3-7-21(9-19)27-13-23-11-25-15-33(37-31(25)17-29(23)35-27)34-16-26-12-24-14-28(22-8-4-6-20(2)10-22)36-30(24)18-32(26)38-34/h3-18H,1-2H3
InChIKeyMIBSGLAJWHJWQM-UHFFFAOYSA-N
XLogP10.29
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
2,6-bis(3-methylphenyl)pyran-4-one
CID 73055523
4,9,14-tris(3-methylphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102106371
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732246
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
7-hydroxy-3-(3-methylphenyl)isochromen-1-one
CID 118395492
4-hydroxy-6-(3-methylphenyl)pyran-2-one
CID 54690178
3-(3-methylphenyl)-7-nitrosoisochromen-1-one
CID 138613162
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
6-chloro-2-(3-chlorophenyl)-1-benzofuran
CID 134273119

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran?
The IUPAC name of 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran (CID 145031024) is 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran.
What is the SMILES notation for 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran?
The canonical SMILES for 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran is Cc1cccc(-c2cc3cc4cc(-c5cc6cc7cc(-c8cccc(C)c8)oc7cc6o5)oc4cc3o2)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran?
The InChIKey is MIBSGLAJWHJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O4/c1-19-5-3-7-21(9-19)27-13-23-11-25-15-33(37-31(25)17-29(23)35-27)34-16-26-12-24-14-28(22-8-4-6-20(2)10-22)36-30(24)18-32(26)38-34/h3-18H,1-2H3.
What are the key properties of 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran?
6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran has a molecular weight of 494.55 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-[6-(3-methylphenyl)furo[3,2-f][1]benzofuran-2-yl]furo[3,2-f][1]benzofuran is sourced from PubChem (CID 145031024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).