3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine

C25H20N2O — CID 155610525

IUPAC3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)c1ccnc(-c2cccc3c2oc2cnc(-c4ccccc4)cc23)c1
InChIInChI=1S/C25H20N2O/c1-16(2)18-11-12-26-23(13-18)20-10-6-9-19-21-14-22(17-7-4-3-5-8-17)27-15-24(21)28-25(19)20/h3-16H,1-2H3
InChIKeyJVSZRGGCDCOANM-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.83
Rot. Bonds3

About 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine

3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 155610525) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
PubChem CID155610525
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)c1ccnc(-c2cccc3c2oc2cnc(-c4ccccc4)cc23)c1
InChIInChI=1S/C25H20N2O/c1-16(2)18-11-12-26-23(13-18)20-10-6-9-19-21-14-22(17-7-4-3-5-8-17)27-15-24(21)28-25(19)20/h3-16H,1-2H3
InChIKeyJVSZRGGCDCOANM-UHFFFAOYSA-N
XLogP6.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
2-[8-phenyl-6-(trideuteriomethyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166577199
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
iridium;3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-c]pyridin-7-ide;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 155612009
2-[7-(1-deuterio-1-phenylethyl)dibenzofuran-4-yl]-4-(2-deuteriopropan-2-yl)pyridine
CID 162708190
8-[4-(3-methylbutan-2-yl)-2-pyridinyl]-3-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611435
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine (CID 155610525) is 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine is CC(C)c1ccnc(-c2cccc3c2oc2cnc(-c4ccccc4)cc23)c1.
What is the InChIKey of 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JVSZRGGCDCOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-16(2)18-11-12-26-23(13-18)20-10-6-9-19-21-14-22(17-7-4-3-5-8-17)27-15-24(21)28-25(19)20/h3-16H,1-2H3.
What are the key properties of 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine?
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 364.45 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 155610525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).