4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine

C27H23NO — CID 155610550

IUPAC4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C27H23NO/c1-27(2,3)21-13-14-28-24(17-21)20-10-12-25-23(15-20)22-11-9-19(16-26(22)29-25)18-7-5-4-6-8-18/h4-17H,1-3H3
InChIKeyODROLWOTJISKEI-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.61
Rot. Bonds2

About 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine

4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine (PubChem CID 155610550) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
PubChem CID155610550
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1
InChIInChI=1S/C27H23NO/c1-27(2,3)21-13-14-28-24(17-21)20-10-12-25-23(15-20)22-11-9-19(16-26(22)29-25)18-7-5-4-6-8-18/h4-17H,1-3H3
InChIKeyODROLWOTJISKEI-UHFFFAOYSA-N
XLogP7.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-(4-tert-butylphenyl)-8-(9,10-ditert-butyl-6-phenylanthracen-2-yl)dibenzofuran
CID 90262330
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine (CID 155610550) is 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine is CC(C)(C)c1ccnc(-c2ccc3oc4cc(-c5ccccc5)ccc4c3c2)c1.
What is the InChIKey of 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is ODROLWOTJISKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-27(2,3)21-13-14-28-24(17-21)20-10-12-25-23(15-20)22-11-9-19(16-26(22)29-25)18-7-5-4-6-8-18/h4-17H,1-3H3.
What are the key properties of 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine?
4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 377.49 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(7-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 155610550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).