6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine

C26H21NO2 — CID 59572230

IUPAC6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3C=Cc3c2oc2ccccc32)c2c1CCCO2
InChIInChI=1S/C26H21NO2/c1-17-12-15-23(25-19(17)9-6-16-28-25)27-22-10-4-2-7-18(22)13-14-21-20-8-3-5-11-24(20)29-26(21)27/h2-5,7-8,10-15H,6,9,16H2,1H3
InChIKeyCCIORPQFZQHQRN-UHFFFAOYSA-N
MW379.46 g/mol
LogP7.02
Rot. Bonds1

About 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine

6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine (PubChem CID 59572230) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
PubChem CID59572230
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc(N2c3ccccc3C=Cc3c2oc2ccccc32)c2c1CCCO2
InChIInChI=1S/C26H21NO2/c1-17-12-15-23(25-19(17)9-6-16-28-25)27-22-10-4-2-7-18(22)13-14-21-20-8-3-5-11-24(20)29-26(21)27/h2-5,7-8,10-15H,6,9,16H2,1H3
InChIKeyCCIORPQFZQHQRN-UHFFFAOYSA-N
XLogP7.02
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine with MolForge

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Related Compounds

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CID 23597825
2-N,2-N,3-N,3-N-tetraphenyl-6-[10-(N-phenylanilino)anthracen-9-yl]-1-benzofuran-2,3-diamine
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2-Methyl-6-(2-methylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
CID 59572214
2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene
CID 59572216
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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine?
The IUPAC name of 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine (CID 59572230) is 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine?
The canonical SMILES for 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine is Cc1ccc(N2c3ccccc3C=Cc3c2oc2ccccc32)c2c1CCCO2.
What is the InChIKey of 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine?
The InChIKey is CCIORPQFZQHQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-17-12-15-23(25-19(17)9-6-16-28-25)27-22-10-4-2-7-18(22)13-14-21-20-8-3-5-11-24(20)29-26(21)27/h2-5,7-8,10-15H,6,9,16H2,1H3.
What are the key properties of 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine?
6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine has a molecular weight of 379.46 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).