6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine

C36H25NO — CID 163664016

IUPAC6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine
SMILESCC1(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)C=Cc2oc3ncccc3c2C1
InChIInChI=1S/C36H25NO/c1-36(18-17-34-33(22-36)31-14-7-19-37-35(31)38-34)25-9-6-8-23(20-25)24-15-16-30-28-12-3-2-10-26(28)27-11-4-5-13-29(27)32(30)21-24/h2-21H,22H2,1H3
InChIKeyIWUUKRIFXSACLX-UHFFFAOYSA-N
MW487.60 g/mol
LogP9.48
Rot. Bonds2

About 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine

6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine (PubChem CID 163664016) has the molecular formula C36H25NO and a molecular weight of 487.60 g/mol. Its IUPAC name is 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine
PubChem CID163664016
Molecular FormulaC36H25NO
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine
SMILESCC1(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)C=Cc2oc3ncccc3c2C1
InChIInChI=1S/C36H25NO/c1-36(18-17-34-33(22-36)31-14-7-19-37-35(31)38-34)25-9-6-8-23(20-25)24-15-16-30-28-12-3-2-10-26(28)27-11-4-5-13-29(27)32(30)21-24/h2-21H,22H2,1H3
InChIKeyIWUUKRIFXSACLX-UHFFFAOYSA-N
XLogP9.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

Sgc-camkk2-1
CID 154700451
2-Cyclopentyl-4-(5-Phenylfuro[2,3-B]pyridin-3-Yl)benzoic Acid
CID 124222750
(2S)-2-[4-[4-(2-benzylfuro[2,3-b]pyridin-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid
CID 10673660
5,11-Dimethyl[1]benzofuro[3,2-g]isoquinoline
CID 272112
US11572366, Example 10
CID 129137950
2-Cyclopentyl-4-furo[2,3-b]pyridin-3-ylbenzoic acid
CID 164617625
Benzofuro[2,3-b]pyridine
CID 11446565
4-Benzo[e][1]benzofuran-2-ylpyridine
CID 23312268
4-Methylbenzofuro[2,3-b]pyridine
CID 70243457
6-Phenyl-[1]benzofuro[2,3-b]pyridine
CID 90139282
7-(4-Phenylphenyl)-5-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 163663834
5-[(3,4-Difluorophenyl)methyl]-2-(3-phenylprop-1-ynyl)furo[2,3-b]pyridine
CID 22320578

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine (CID 163664016) is 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine is CC1(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)C=Cc2oc3ncccc3c2C1.
What is the InChIKey of 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IWUUKRIFXSACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NO/c1-36(18-17-34-33(22-36)31-14-7-19-37-35(31)38-34)25-9-6-8-23(20-25)24-15-16-30-28-12-3-2-10-26(28)27-11-4-5-13-29(27)32(30)21-24/h2-21H,22H2,1H3.
What are the key properties of 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine?
6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine has a molecular weight of 487.60 g/mol, XLogP of 9.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(3-triphenylen-2-ylphenyl)-5H-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 163664016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).