2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

C30H25NO — CID 59572476

IUPAC2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1
InChIInChI=1S/C30H25NO/c1-20-12-16-27-23(18-20)14-15-25-26-19-21(2)13-17-29(26)32-30(25)31(27)28-11-7-6-10-24(28)22-8-4-3-5-9-22/h3-13,16-19H,14-15H2,1-2H3
InChIKeyRHBRTZYYOKXEOJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP8.29
Rot. Bonds2

About 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine

2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (PubChem CID 59572476) has the molecular formula C30H25NO and a molecular weight of 415.54 g/mol. Its IUPAC name is 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.

Molecular Properties

Compound Name2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
PubChem CID59572476
Molecular FormulaC30H25NO
Molecular Weight415.54 g/mol
Exact Mass415.19
IUPAC Name2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine
SMILESCc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1
InChIInChI=1S/C30H25NO/c1-20-12-16-27-23(18-20)14-15-25-26-19-21(2)13-17-29(26)32-30(25)31(27)28-11-7-6-10-24(28)22-8-4-3-5-9-22/h3-13,16-19H,14-15H2,1-2H3
InChIKeyRHBRTZYYOKXEOJ-UHFFFAOYSA-N
XLogP8.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The IUPAC name of 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine (CID 59572476) is 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine.
What is the SMILES notation for 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The canonical SMILES for 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is Cc1ccc2c(c1)CCc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.
What is the InChIKey of 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
The InChIKey is RHBRTZYYOKXEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO/c1-20-12-16-27-23(18-20)14-15-25-26-19-21(2)13-17-29(26)32-30(25)31(27)28-11-7-6-10-24(28)22-8-4-3-5-9-22/h3-13,16-19H,14-15H2,1-2H3.
What are the key properties of 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine?
2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine has a molecular weight of 415.54 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-(2-phenylphenyl)-11,12-dihydro-[1]benzofuro[2,3-b][1]benzazepine is sourced from PubChem (CID 59572476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).