8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile

C26H18N2O — CID 162709674

IUPAC8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
SMILESCC(c1ccccc1)c1ccnc(-c2ccc3oc4ccc(C#N)cc4c3c2)c1
InChIInChI=1S/C26H18N2O/c1-17(19-5-3-2-4-6-19)20-11-12-28-24(15-20)21-8-10-26-23(14-21)22-13-18(16-27)7-9-25(22)29-26/h2-15,17H,1H3
InChIKeyKZQIJWHMPNKHTB-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.67
Rot. Bonds3

About 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile

8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile (PubChem CID 162709674) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
PubChem CID162709674
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
SMILESCC(c1ccccc1)c1ccnc(-c2ccc3oc4ccc(C#N)cc4c3c2)c1
InChIInChI=1S/C26H18N2O/c1-17(19-5-3-2-4-6-19)20-11-12-28-24(15-20)21-8-10-26-23(14-21)22-13-18(16-27)7-9-25(22)29-26/h2-15,17H,1H3
InChIKeyKZQIJWHMPNKHTB-UHFFFAOYSA-N
XLogP6.67
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 162710331
8-pyridin-2-yldibenzofuran-3-carbonitrile
CID 155042702
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
2-[3-[8-[3-(4-isocyano-2-pyridinyl)phenyl]dibenzofuran-2-yl]phenyl]pyridine-4-carbonitrile
CID 140769444
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile (CID 162709674) is 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile is CC(c1ccccc1)c1ccnc(-c2ccc3oc4ccc(C#N)cc4c3c2)c1.
What is the InChIKey of 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile?
The InChIKey is KZQIJWHMPNKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c1-17(19-5-3-2-4-6-19)20-11-12-28-24(15-20)21-8-10-26-23(14-21)22-13-18(16-27)7-9-25(22)29-26/h2-15,17H,1H3.
What are the key properties of 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile?
8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile has a molecular weight of 374.44 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 162709674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).