3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile

C29H17NO — CID 70847305

IUPAC3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc4c5ccccc5oc4c4ccccc34)c2)c1
InChIInChI=1S/C29H17NO/c30-18-19-7-5-8-20(15-19)21-9-6-10-22(16-21)26-17-27-24-12-3-4-14-28(24)31-29(27)25-13-2-1-11-23(25)26/h1-17H
InChIKeyJYIZTDMLKQFUKW-UHFFFAOYSA-N
MW395.46 g/mol
LogP7.94
Rot. Bonds2

About 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile

3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile (PubChem CID 70847305) has the molecular formula C29H17NO and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
PubChem CID70847305
Molecular FormulaC29H17NO
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc4c5ccccc5oc4c4ccccc34)c2)c1
InChIInChI=1S/C29H17NO/c30-18-19-7-5-8-20(15-19)21-9-6-10-22(16-21)26-17-27-24-12-3-4-14-28(24)31-29(27)25-13-2-1-11-23(25)26/h1-17H
InChIKeyJYIZTDMLKQFUKW-UHFFFAOYSA-N
XLogP7.94
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-dibenzofuran-4-yldibenzofuran-4-yl)benzonitrile
CID 146266788
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
3-dibenzofuran-4-yl-5-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]benzonitrile
CID 90393086
3-dibenzofuran-4-yl-5-[3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 90393083
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzonitrile
CID 146355229
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzonitrile
CID 139381460
3-(3-dibenzofuran-4-yl-5-dibenzothiophen-1-ylphenyl)benzonitrile
CID 146354319
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
3-[2,6-di(dibenzofuran-4-yl)phenyl]-5-phenylbenzonitrile
CID 146354823

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile?
The IUPAC name of 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile (CID 70847305) is 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile.
What is the SMILES notation for 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile?
The canonical SMILES for 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile is N#Cc1cccc(-c2cccc(-c3cc4c5ccccc5oc4c4ccccc34)c2)c1.
What is the InChIKey of 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile?
The InChIKey is JYIZTDMLKQFUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NO/c30-18-19-7-5-8-20(15-19)21-9-6-10-22(16-21)26-17-27-24-12-3-4-14-28(24)31-29(27)25-13-2-1-11-23(25)26/h1-17H.
What are the key properties of 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile?
3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile has a molecular weight of 395.46 g/mol, XLogP of 7.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)benzonitrile is sourced from PubChem (CID 70847305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).