9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran

C24H18O — CID 123472121

IUPAC9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
SMILESCCc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1
InChIInChI=1S/C24H18O/c1-2-16-6-5-8-18(14-16)19-10-12-21-23(15-19)25-22-13-11-17-7-3-4-9-20(17)24(21)22/h3-15H,2H2,1H3
InChIKeyLTFCOVLFSSXPLB-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.97
Rot. Bonds2

About 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran

9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran (PubChem CID 123472121) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
PubChem CID123472121
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
SMILESCCc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1
InChIInChI=1S/C24H18O/c1-2-16-6-5-8-18(14-16)19-10-12-21-23(15-19)25-22-13-11-17-7-3-4-9-20(17)24(21)22/h3-15H,2H2,1H3
InChIKeyLTFCOVLFSSXPLB-UHFFFAOYSA-N
XLogP6.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136995
9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59137038
8-[3-[3-(3-ethylphenyl)phenyl]phenyl]-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 164568965
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
17-ethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117321
9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163785389
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
2-chloro-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 147220347
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292
9-[7-(10-phenylanthracen-9-yl)dibenzothiophen-3-yl]naphtho[2,1-b][1]benzofuran
CID 122425921

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran (CID 123472121) is 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran is CCc1cccc(-c2ccc3c(c2)oc2ccc4ccccc4c23)c1.
What is the InChIKey of 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran?
The InChIKey is LTFCOVLFSSXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c1-2-16-6-5-8-18(14-16)19-10-12-21-23(15-19)25-22-13-11-17-7-3-4-9-20(17)24(21)22/h3-15H,2H2,1H3.
What are the key properties of 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran?
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran has a molecular weight of 322.41 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 123472121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).