2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine

C27H31NO — CID 171576858

IUPAC2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(C)c3c2oc2ccc(C)cc23)nc1
InChIInChI=1S/C27H31NO/c1-4-5-6-7-8-9-10-21-13-15-24(28-18-21)22-14-12-20(3)26-23-17-19(2)11-16-25(23)29-27(22)26/h11-18H,4-10H2,1-3H3
InChIKeyDPUKXIBGKGYJBA-UHFFFAOYSA-N
MW385.55 g/mol
LogP8.17
Rot. Bonds8

About 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine

2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine (PubChem CID 171576858) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine.

Molecular Properties

Compound Name2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine
PubChem CID171576858
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(C)c3c2oc2ccc(C)cc23)nc1
InChIInChI=1S/C27H31NO/c1-4-5-6-7-8-9-10-21-13-15-24(28-18-21)22-14-12-20(3)26-23-17-19(2)11-16-25(23)29-27(22)26/h11-18H,4-10H2,1-3H3
InChIKeyDPUKXIBGKGYJBA-UHFFFAOYSA-N
XLogP8.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(2-(1,8-dimethyl-3H-dibenzofuran-3-id-4-yl)-5-octylpyridine);iridium(3+)
CID 171576857
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
CID 57131697
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
CID 162214367
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
7-methyl-19-octyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135243440
7-octyl-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118285728
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
trimethyl-[8-(2-methylpropyl)-4-[5-(trideuteriomethyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796961
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine?
The IUPAC name of 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine (CID 171576858) is 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine.
What is the SMILES notation for 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine?
The canonical SMILES for 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine is CCCCCCCCc1ccc(-c2ccc(C)c3c2oc2ccc(C)cc23)nc1.
What is the InChIKey of 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine?
The InChIKey is DPUKXIBGKGYJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-4-5-6-7-8-9-10-21-13-15-24(28-18-21)22-14-12-20(3)26-23-17-19(2)11-16-25(23)29-27(22)26/h11-18H,4-10H2,1-3H3.
What are the key properties of 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine?
2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine has a molecular weight of 385.55 g/mol, XLogP of 8.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine is sourced from PubChem (CID 171576858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).