2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile

C33H19NO — CID 170374738

IUPAC2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C33H19NO/c34-20-22-9-1-2-10-23(22)33-27-14-5-3-12-25(27)32(26-13-4-6-15-28(26)33)21-17-18-31-29(19-21)24-11-7-8-16-30(24)35-31/h1-19H
InChIKeyAIHNPHFKEAAYLF-UHFFFAOYSA-N
MW445.52 g/mol
LogP9.10
Rot. Bonds2

About 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile

2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile (PubChem CID 170374738) has the molecular formula C33H19NO and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
PubChem CID170374738
Molecular FormulaC33H19NO
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
SMILESN#Cc1ccccc1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12
InChIInChI=1S/C33H19NO/c34-20-22-9-1-2-10-23(22)33-27-14-5-3-12-25(27)32(26-13-4-6-15-28(26)33)21-17-18-31-29(19-21)24-11-7-8-16-30(24)35-31/h1-19H
InChIKeyAIHNPHFKEAAYLF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
CID 170375637
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
2-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355346
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)benzonitrile
CID 146354655
2-[4-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylphenyl]benzonitrile
CID 146353689
2-[4-(2-cyanophenyl)phenyl]-4,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354432
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
2-(5-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354764
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile?
The IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile (CID 170374738) is 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile.
What is the SMILES notation for 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile?
The canonical SMILES for 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile is N#Cc1ccccc1-c1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.
What is the InChIKey of 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile?
The InChIKey is AIHNPHFKEAAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NO/c34-20-22-9-1-2-10-23(22)33-27-14-5-3-12-25(27)32(26-13-4-6-15-28(26)33)21-17-18-31-29(19-21)24-11-7-8-16-30(24)35-31/h1-19H.
What are the key properties of 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile?
2-(10-dibenzofuran-2-ylanthracen-9-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 2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile is sourced from PubChem (CID 170374738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).