ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))

C34H48N2O2Rb2 — CID 159390566

IUPACethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))
SMILESCC.CC.CC.CC.CC1C(=O)[N-]c2ccccc2-c2ccccc21.CC1CCc2ccccc2[N-]C1=O.[Rb+].[Rb+]
InChIInChI=1S/C15H13NO.C11H13NO.4C2H6.2Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16-15(10)17;1-8-6-7-9-4-2-3-5-10(9)12-11(8)13;4*1-2;;/h2-10H,1H3,(H,16,17);2-5,8H,6-7H2,1H3,(H,12,13);4*1-2H3;;/q;;;;;;2*+1/p-2
InChIKeyLMBCORLAQMEYFS-UHFFFAOYSA-L
MW687.71 g/mol
LogP4.92
Rot. Bonds

About ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))

ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) (PubChem CID 159390566) has the molecular formula C34H48N2O2Rb2 and a molecular weight of 687.71 g/mol. Its IUPAC name is ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)).

Molecular Properties

Compound Nameethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))
PubChem CID159390566
Molecular FormulaC34H48N2O2Rb2
Molecular Weight687.71 g/mol
Exact Mass686.20
IUPAC Nameethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))
SMILESCC.CC.CC.CC.CC1C(=O)[N-]c2ccccc2-c2ccccc21.CC1CCc2ccccc2[N-]C1=O.[Rb+].[Rb+]
InChIInChI=1S/C15H13NO.C11H13NO.4C2H6.2Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16-15(10)17;1-8-6-7-9-4-2-3-5-10(9)12-11(8)13;4*1-2;;/h2-10H,1H3,(H,16,17);2-5,8H,6-7H2,1H3,(H,12,13);4*1-2H3;;/q;;;;;;2*+1/p-2
InChIKeyLMBCORLAQMEYFS-UHFFFAOYSA-L
XLogP4.92
TPSA62.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.71
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))?
The IUPAC name of ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) (CID 159390566) is ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)).
What is the SMILES notation for ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))?
The canonical SMILES for ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) is CC.CC.CC.CC.CC1C(=O)[N-]c2ccccc2-c2ccccc21.CC1CCc2ccccc2[N-]C1=O.[Rb+].[Rb+].
What is the InChIKey of ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))?
The InChIKey is LMBCORLAQMEYFS-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H13NO.C11H13NO.4C2H6.2Rb/c1-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)16-15(10)17;1-8-6-7-9-4-2-3-5-10(9)12-11(8)13;4*1-2;;/h2-10H,1H3,(H,16,17);2-5,8H,6-7H2,1H3,(H,12,13);4*1-2H3;;/q;;;;;;2*+1/p-2.
What are the key properties of ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+))?
ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) has a molecular weight of 687.71 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-7H-benzo[d][1]benzazepin-5-id-6-one;3-methyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;bis(rubidium(1+)) is sourced from PubChem (CID 159390566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).