6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine

C27H23NO — CID 154728765

IUPAC6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2cc(-c4ccccc4)ncc23)cc1
InChIInChI=1S/C27H23NO/c1-27(2,3)20-14-12-18(13-15-20)21-10-7-11-22-23-17-28-24(16-25(23)29-26(21)22)19-8-5-4-6-9-19/h4-17H,1-3H3
InChIKeyHUBMXLWPCQIMER-UHFFFAOYSA-N
MW377.49 g/mol
LogP7.61
Rot. Bonds2

About 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine

6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 154728765) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
PubChem CID154728765
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc3c2oc2cc(-c4ccccc4)ncc23)cc1
InChIInChI=1S/C27H23NO/c1-27(2,3)20-14-12-18(13-15-20)21-10-7-11-22-23-17-28-24(16-25(23)29-26(21)22)19-8-5-4-6-9-19/h4-17H,1-3H3
InChIKeyHUBMXLWPCQIMER-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

2-[6-(4-tert-butylphenyl)dibenzofuran-4-yl]-4-phenylpyridine
CID 166574499
4-tert-butyl-2-(6-phenyldibenzofuran-4-yl)pyridine
CID 166573800
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
4-tert-butyl-2-[6-(3,5-ditert-butylphenyl)dibenzofuran-3-yl]pyridine
CID 166575883
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
6-(4-tert-butyl-2-pyridinyl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 155610480
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-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
CID 153295059
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
1-tert-butyl-2,4-diphenylbenzene;2-(3-tert-butylphenyl)dibenzofuran;2-(4-tert-butylphenyl)dibenzofuran;3-(3-tert-butylphenyl)dibenzofuran;3-(4-tert-butylphenyl)dibenzofuran;4-(4-tert-butylphenyl)dibenzofuran
CID 160962612

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine (CID 154728765) is 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine is CC(C)(C)c1ccc(-c2cccc3c2oc2cc(-c4ccccc4)ncc23)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is HUBMXLWPCQIMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-27(2,3)20-14-12-18(13-15-20)21-10-7-11-22-23-17-28-24(16-25(23)29-26(21)22)19-8-5-4-6-9-19/h4-17H,1-3H3.
What are the key properties of 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine?
6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]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 6-(4-tert-butylphenyl)-3-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 154728765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).