2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine

C33H27NO — CID 166574499

IUPAC2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1
InChIInChI=1S/C33H27NO/c1-33(2,3)25-17-15-23(16-18-25)26-11-7-12-27-28-13-8-14-29(32(28)35-31(26)27)30-21-24(19-20-34-30)22-9-5-4-6-10-22/h4-21H,1-3H3
InChIKeyBPQFBMAWGPSBRF-UHFFFAOYSA-N
MW453.59 g/mol
LogP9.28
Rot. Bonds3

About 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine

2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine (PubChem CID 166574499) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine.

Molecular Properties

Compound Name2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
PubChem CID166574499
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1
InChIInChI=1S/C33H27NO/c1-33(2,3)25-17-15-23(16-18-25)26-11-7-12-27-28-13-8-14-29(32(28)35-31(26)27)30-21-24(19-20-34-30)22-9-5-4-6-10-22/h4-21H,1-3H3
InChIKeyBPQFBMAWGPSBRF-UHFFFAOYSA-N
XLogP9.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
4-[4-[6-(4-tert-butyl-2-pyridinyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 170546327
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 154728765
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761226
4-(4-tert-butylphenyl)-2-(1,9-dimethyldibenzofuran-4-yl)pyridine
CID 171576718
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
2-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,5-bis(trideuteriomethyl)pyridine
CID 168731031

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine?
The IUPAC name of 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine (CID 166574499) is 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine.
What is the SMILES notation for 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine?
The canonical SMILES for 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine is CC(C)(C)c1ccc(-c2cccc3c2oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1.
What is the InChIKey of 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine?
The InChIKey is BPQFBMAWGPSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-33(2,3)25-17-15-23(16-18-25)26-11-7-12-27-28-13-8-14-29(32(28)35-31(26)27)30-21-24(19-20-34-30)22-9-5-4-6-10-22/h4-21H,1-3H3.
What are the key properties of 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine?
2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine has a molecular weight of 453.59 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine is sourced from PubChem (CID 166574499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).