5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran

C26H20O — CID 172738454

IUPAC5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran
SMILESCc1cc2oc(-c3ccccc3)cc2c(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C26H20O/c1-17-14-25-23(16-24(27-25)20-9-4-3-5-10-20)26(18(17)2)22-13-12-19-8-6-7-11-21(19)15-22/h3-16H,1-2H3
InChIKeyITNDMXROIRWPSN-UHFFFAOYSA-N
MW348.44 g/mol
LogP7.54
Rot. Bonds2

About 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran

5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran (PubChem CID 172738454) has the molecular formula C26H20O and a molecular weight of 348.44 g/mol. Its IUPAC name is 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran
PubChem CID172738454
Molecular FormulaC26H20O
Molecular Weight348.44 g/mol
Exact Mass348.15
IUPAC Name5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran
SMILESCc1cc2oc(-c3ccccc3)cc2c(-c2ccc3ccccc3c2)c1C
InChIInChI=1S/C26H20O/c1-17-14-25-23(16-24(27-25)20-9-4-3-5-10-20)26(18(17)2)22-13-12-19-8-6-7-11-21(19)15-22/h3-16H,1-2H3
InChIKeyITNDMXROIRWPSN-UHFFFAOYSA-N
XLogP7.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 174307066
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-naphthalen-2-ylaniline;N,N-bis[4-(1-benzofuran-2-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)aniline;N,4-bis[4-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 165046109
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
3-methyl-2-naphthalen-2-yl-1-benzofuran
CID 54024232
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812
2-(1,2,3,4,5,6,7,8-octamethyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 167687087

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran?
The IUPAC name of 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran (CID 172738454) is 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran.
What is the SMILES notation for 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran?
The canonical SMILES for 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran is Cc1cc2oc(-c3ccccc3)cc2c(-c2ccc3ccccc3c2)c1C.
What is the InChIKey of 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran?
The InChIKey is ITNDMXROIRWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c1-17-14-25-23(16-24(27-25)20-9-4-3-5-10-20)26(18(17)2)22-13-12-19-8-6-7-11-21(19)15-22/h3-16H,1-2H3.
What are the key properties of 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran?
5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran has a molecular weight of 348.44 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-naphthalen-2-yl-2-phenyl-1-benzofuran is sourced from PubChem (CID 172738454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).