2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine

C28H23NO2 — CID 167209344

IUPAC2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine
SMILESCC1(C)CCOc2c(-c3cccc4c3oc3c(-c5ccccn5)cccc34)cccc21
InChIInChI=1S/C28H23NO2/c1-28(2)15-17-30-27-21(11-7-13-23(27)28)20-9-5-8-18-19-10-6-12-22(26(19)31-25(18)20)24-14-3-4-16-29-24/h3-14,16H,15,17H2,1-2H3
InChIKeyATHGQJOGQOQLDB-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.38
Rot. Bonds2

About 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine

2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine (PubChem CID 167209344) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine
PubChem CID167209344
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine
SMILESCC1(C)CCOc2c(-c3cccc4c3oc3c(-c5ccccn5)cccc34)cccc21
InChIInChI=1S/C28H23NO2/c1-28(2)15-17-30-27-21(11-7-13-23(27)28)20-9-5-8-18-19-10-6-12-22(26(19)31-25(18)20)24-14-3-4-16-29-24/h3-14,16H,15,17H2,1-2H3
InChIKeyATHGQJOGQOQLDB-UHFFFAOYSA-N
XLogP7.38
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.38
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
2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
CID 140899415
2-dibenzofuran-4-ylpyridine
CID 59500175
6-pyridin-2-yl-4-(5,5,8,8-tetramethyl-4a,6,7,8a-tetrahydronaphthalen-2-yl)dibenzofuran-3-carbonitrile
CID 167365859
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
2-[6-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707082
4-pyridin-2-ylxanthen-9-one
CID 167260109
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
2-(6,8-diethyldibenzofuran-4-yl)pyridine
CID 176637470
2-(9'-methylspiro[cyclopentane-1,12'-fluoreno[1,2-b][1]benzofuran]-10'-yl)pyridine
CID 121342984
N,4,4-trimethyl-2,3-dihydrochromen-8-amine
CID 170191308
2-(6-fluoro-7-isocyanodibenzofuran-4-yl)pyridine
CID 154616033

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine (CID 167209344) is 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine is CC1(C)CCOc2c(-c3cccc4c3oc3c(-c5ccccn5)cccc34)cccc21.
What is the InChIKey of 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is ATHGQJOGQOQLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-28(2)15-17-30-27-21(11-7-13-23(27)28)20-9-5-8-18-19-10-6-12-22(26(19)31-25(18)20)24-14-3-4-16-29-24/h3-14,16H,15,17H2,1-2H3.
What are the key properties of 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine?
2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 405.50 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4-dimethyl-2,3-dihydrochromen-8-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 167209344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).