6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

C27H25NO2 — CID 59572396

IUPAC6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1cccc2c1OCCC2
InChIInChI=1S/C27H25NO2/c1-17-8-12-23-20(15-17)10-11-21-22-16-18(2)9-13-25(22)30-27(21)28(23)24-7-3-5-19-6-4-14-29-26(19)24/h3,5,7-9,12-13,15-16H,4,6,10-11,14H2,1-2H3
InChIKeyVQNXBXJHMORCNC-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.94
Rot. Bonds1

About 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (PubChem CID 59572396) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
PubChem CID59572396
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1cccc2c1OCCC2
InChIInChI=1S/C27H25NO2/c1-17-8-12-23-20(15-17)10-11-21-22-16-18(2)9-13-25(22)30-27(21)28(23)24-7-3-5-19-6-4-14-29-26(19)24/h3,5,7-9,12-13,15-16H,4,6,10-11,14H2,1-2H3
InChIKeyVQNXBXJHMORCNC-UHFFFAOYSA-N
XLogP6.94
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-7-fluoro-10-(4-phenylphenyl)phenoxazine
CID 71003837
1-(4-Methylphenyl)-8-phenyl-3,4-dihydrofuro[2,3-h]quinolin-2-one
CID 102451914
6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one
CID 11514498
6-[2-(1-benzofuran-5-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 11565556
N,5-dimethyl-3-(4-methylphenyl)-N-phenyl-1-benzofuran-2-amine
CID 53730327
2-(2,3-Dihydro-1,4-benzoxazin-4-yl)-3-methyl-1-benzofuran-5-carbaldehyde
CID 54032671
6-(1-benzofuran-5-yl)-8-methyl-4H-1,4-benzoxazin-3-one
CID 57585519
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
9-(2-methoxy-4-methylphenyl)-4H-furo[2,3-b]quinoline
CID 59572224
6-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-[1]benzofuro[2,3-b][1]benzazepine
CID 59572230
6-(2-Methoxyphenyl)-2,9-dimethyl-[1]benzofuro[3,2-c][1,2,5]benzotriazepine
CID 59572250

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The IUPAC name of 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (CID 59572396) is 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The canonical SMILES for 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is Cc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1cccc2c1OCCC2.
What is the InChIKey of 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The InChIKey is VQNXBXJHMORCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-17-8-12-23-20(15-17)10-11-21-22-16-18(2)9-13-25(22)30-27(21)28(23)24-7-3-5-19-6-4-14-29-26(19)24/h3,5,7-9,12-13,15-16H,4,6,10-11,14H2,1-2H3.
What are the key properties of 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine has a molecular weight of 395.50 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).