4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile

C23H13NO — CID 70847283

IUPAC4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C23H13NO/c24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h1-13H
InChIKeyFWNUARTXSFAFDH-UHFFFAOYSA-N
MW319.36 g/mol
LogP6.28
Rot. Bonds1

About 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile

4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile (PubChem CID 70847283) has the molecular formula C23H13NO and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile.

Molecular Properties

Compound Name4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
PubChem CID70847283
Molecular FormulaC23H13NO
Molecular Weight319.36 g/mol
Exact Mass319.10
IUPAC Name4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C23H13NO/c24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h1-13H
InChIKeyFWNUARTXSFAFDH-UHFFFAOYSA-N
XLogP6.28
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
CID 70847284
4-[N-(9,9-dimethyl-7-phenylfluoren-2-yl)-4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)anilino]benzonitrile
CID 67964681
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
4-(7-dibenzofuran-1-ylnaphthalen-2-yl)benzonitrile
CID 70847339
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
9-naphtho[2,1-b][1]benzofuran-10-yl-10-(4-phenanthren-2-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163441692
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile?
The IUPAC name of 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile (CID 70847283) is 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile.
What is the SMILES notation for 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile?
The canonical SMILES for 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile is N#Cc1ccc(-c2ccc3oc4ccc5ccccc5c4c3c2)cc1.
What is the InChIKey of 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile?
The InChIKey is FWNUARTXSFAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO/c24-14-15-5-7-16(8-6-15)18-10-11-21-20(13-18)23-19-4-2-1-3-17(19)9-12-22(23)25-21/h1-13H.
What are the key properties of 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile?
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile has a molecular weight of 319.36 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile is sourced from PubChem (CID 70847283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).