2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran

C25H20O2 — CID 71472756

IUPAC2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)o3)c3oc(C)cc23)cc1
InChIInChI=1S/C25H20O2/c1-15-8-11-18(12-9-15)23-19-6-4-5-7-20(19)24(22-13-10-16(2)26-22)25-21(23)14-17(3)27-25/h4-14H,1-3H3
InChIKeyXGSDJALFTPXMIV-UHFFFAOYSA-N
MW352.43 g/mol
LogP7.44
Rot. Bonds2

About 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran

2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran (PubChem CID 71472756) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran.

Molecular Properties

Compound Name2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran
PubChem CID71472756
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)o3)c3oc(C)cc23)cc1
InChIInChI=1S/C25H20O2/c1-15-8-11-18(12-9-15)23-19-6-4-5-7-20(19)24(22-13-10-16(2)26-22)25-21(23)14-17(3)27-25/h4-14H,1-3H3
InChIKeyXGSDJALFTPXMIV-UHFFFAOYSA-N
XLogP7.44
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
2-methyl-5-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-2-yl]anthracen-9-yl]furan
CID 159161973
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-methyl-5-[10-[8-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 161168081
2-methyl-5-[10-[7-[10-(5-methylfuran-2-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]furan
CID 161037729
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
2-methyl-5-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan
CID 159746388
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran?
The IUPAC name of 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran (CID 71472756) is 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran.
What is the SMILES notation for 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran?
The canonical SMILES for 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)o3)c3oc(C)cc23)cc1.
What is the InChIKey of 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran?
The InChIKey is XGSDJALFTPXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O2/c1-15-8-11-18(12-9-15)23-19-6-4-5-7-20(19)24(22-13-10-16(2)26-22)25-21(23)14-17(3)27-25/h4-14H,1-3H3.
What are the key properties of 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran?
2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran has a molecular weight of 352.43 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(5-methylfuran-2-yl)-4-(4-methylphenyl)benzo[f][1]benzofuran is sourced from PubChem (CID 71472756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).