3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile

C33H19NO — CID 70847284

IUPAC3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1
InChIInChI=1S/C33H19NO/c34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31/h1-19H
InChIKeyHAPMCZGBECYQOX-UHFFFAOYSA-N
MW445.52 g/mol
LogP9.10
Rot. Bonds2

About 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile

3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile (PubChem CID 70847284) has the molecular formula C33H19NO and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
PubChem CID70847284
Molecular FormulaC33H19NO
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1
InChIInChI=1S/C33H19NO/c34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31/h1-19H
InChIKeyHAPMCZGBECYQOX-UHFFFAOYSA-N
XLogP9.10
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
3-[2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]benzonitrile
CID 89027034
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzonitrile
CID 89026906
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
CID 174028643
CID 174028643
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,1-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 154613999
N-(6-phenylnaphthalen-2-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 118616145
3-(8-carbazol-9-yldibenzofuran-2-yl)benzonitrile
CID 122575991
10-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 153473732

Frequently Asked Questions

What is the IUPAC name of 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile?
The IUPAC name of 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile (CID 70847284) is 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile.
What is the SMILES notation for 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile?
The canonical SMILES for 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile is N#Cc1cccc(-c2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)ccc3c2)c1.
What is the InChIKey of 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile?
The InChIKey is HAPMCZGBECYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NO/c34-20-21-4-3-6-23(16-21)24-8-9-26-18-27(11-10-25(26)17-24)28-13-14-31-30(19-28)33-29-7-2-1-5-22(29)12-15-32(33)35-31/h1-19H.
What are the key properties of 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile?
3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile has a molecular weight of 445.52 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile is sourced from PubChem (CID 70847284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).