6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile

C32H30N2O — CID 167365859

IUPAC6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
SMILESCC1(C)CCC(C)(C)C2C=C(c3c(C#N)ccc4c3oc3c(-c5ccccn5)cccc34)C=CC21
InChIInChI=1S/C32H30N2O/c1-31(2)15-16-32(3,4)26-18-20(12-14-25(26)31)28-21(19-33)11-13-23-22-8-7-9-24(29(22)35-30(23)28)27-10-5-6-17-34-27/h5-14,17-18,25-26H,15-16H2,1-4H3
InChIKeyNNJAGAGLSTYFKC-UHFFFAOYSA-N
MW458.61 g/mol
LogP8.55
Rot. Bonds2

About 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile

6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 167365859) has the molecular formula C32H30N2O and a molecular weight of 458.61 g/mol. Its IUPAC name is 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
PubChem CID167365859
Molecular FormulaC32H30N2O
Molecular Weight458.61 g/mol
Exact Mass458.24
IUPAC Name6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
SMILESCC1(C)CCC(C)(C)C2C=C(c3c(C#N)ccc4c3oc3c(-c5ccccn5)cccc34)C=CC21
InChIInChI=1S/C32H30N2O/c1-31(2)15-16-32(3,4)26-18-20(12-14-25(26)31)28-21(19-33)11-13-23-22-8-7-9-24(29(22)35-30(23)28)27-10-5-6-17-34-27/h5-14,17-18,25-26H,15-16H2,1-4H3
InChIKeyNNJAGAGLSTYFKC-UHFFFAOYSA-N
XLogP8.55
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4,4-dimethyl-2,3-dihydrochromen-7-yl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 167209349
4-(3-cyanophenyl)-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 166043478
4-phenanthren-2-yl-6-pyridin-2-yldibenzofuran-3-carbonitrile
CID 169077042
2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine
CID 167209344
8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridine-4-carbonitrile
CID 154615719
8-methyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170251109
6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
CID 170252554
2-dibenzofuran-4-ylpyridine
CID 59500175
2-[7-fluoro-6-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]pyridine
CID 165385994
3-carbazol-9-yl-2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)benzonitrile
CID 126582543
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
6-[5-(trideuteriomethyl)-2-pyridinyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]dibenzofuran-3-carbonitrile
CID 171745888

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile (CID 167365859) is 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile is CC1(C)CCC(C)(C)C2C=C(c3c(C#N)ccc4c3oc3c(-c5ccccn5)cccc34)C=CC21.
What is the InChIKey of 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is NNJAGAGLSTYFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O/c1-31(2)15-16-32(3,4)26-18-20(12-14-25(26)31)28-21(19-33)11-13-23-22-8-7-9-24(29(22)35-30(23)28)27-10-5-6-17-34-27/h5-14,17-18,25-26H,15-16H2,1-4H3.
What are the key properties of 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile?
6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile has a molecular weight of 458.61 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 167365859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).