4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile

C32H18N2O — CID 169077042

IUPAC4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(oc3c(-c4ccccn4)cccc32)c1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C32H18N2O/c33-19-23-14-16-27-26-8-5-9-28(29-10-3-4-17-34-29)31(26)35-32(27)30(23)22-13-15-25-21(18-22)12-11-20-6-1-2-7-24(20)25/h1-18H
InChIKeyHGNJQWPHBJTANZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP8.49
Rot. Bonds2

About 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile

4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile (PubChem CID 169077042) has the molecular formula C32H18N2O and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
PubChem CID169077042
Molecular FormulaC32H18N2O
Molecular Weight446.51 g/mol
Exact Mass446.14
IUPAC Name4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(oc3c(-c4ccccn4)cccc32)c1-c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C32H18N2O/c33-19-23-14-16-27-26-8-5-9-28(29-10-3-4-17-34-29)31(26)35-32(27)30(23)22-13-15-25-21(18-22)12-11-20-6-1-2-7-24(20)25/h1-18H
InChIKeyHGNJQWPHBJTANZ-UHFFFAOYSA-N
XLogP8.49
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
4-(4,4-dimethyl-2,3-dihydrochromen-7-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 167209349
5-tert-butyl-2-phenylpyridine;iridium;4-phenanthren-2-yl-6-pyridin-2-yl-7H-dibenzofuran-7-ide-3-carbonitrile
CID 169077041
6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
CID 167365859
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
8-methyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170251109
2-[7-fluoro-6-(1,1,3,3-tetradeuterio-2,2-dimethylcyclopenta[b]naphthalen-6-yl)dibenzofuran-4-yl]pyridine
CID 166051431
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
2-(6-phenanthren-2-yldibenzofuran-3-yl)-4,6-diphenylpyrimidine
CID 166953199
4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654056

Frequently Asked Questions

What is the IUPAC name of 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The IUPAC name of 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile (CID 169077042) is 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile.
What is the SMILES notation for 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The canonical SMILES for 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile is N#Cc1ccc2c(oc3c(-c4ccccn4)cccc32)c1-c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile?
The InChIKey is HGNJQWPHBJTANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2O/c33-19-23-14-16-27-26-8-5-9-28(29-10-3-4-17-34-29)31(26)35-32(27)30(23)22-13-15-25-21(18-22)12-11-20-6-1-2-7-24(20)25/h1-18H.
What are the key properties of 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile?
4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile has a molecular weight of 446.51 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile is sourced from PubChem (CID 169077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).