beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)

C34H26BeN4O2 — CID 58049922

IUPACberyllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)
SMILESCC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].CC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].[Be+2]
InChIInChI=1S/2C17H14N2O.Be/c2*1-17(2)12-4-3-6-19-15(12)14-13(17)8-10-5-7-18-9-11(10)16(14)20;/h2*3-9,20H,1-2H3;/q;;+2/p-2
InChIKeyHMPHGOSIARQCSC-UHFFFAOYSA-L
MW531.62 g/mol
LogP5.64
Rot. Bonds

About beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)

beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) (PubChem CID 58049922) has the molecular formula C34H26BeN4O2 and a molecular weight of 531.62 g/mol. Its IUPAC name is beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate).

Molecular Properties

Compound Nameberyllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)
PubChem CID58049922
Molecular FormulaC34H26BeN4O2
Molecular Weight531.62 g/mol
Exact Mass531.22
IUPAC Nameberyllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)
SMILESCC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].CC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].[Be+2]
InChIInChI=1S/2C17H14N2O.Be/c2*1-17(2)12-4-3-6-19-15(12)14-13(17)8-10-5-7-18-9-11(10)16(14)20;/h2*3-9,20H,1-2H3;/q;;+2/p-2
InChIKeyHMPHGOSIARQCSC-UHFFFAOYSA-L
XLogP5.64
TPSA97.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) with MolForge

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Related Compounds

2-(4-Fluoro-3-isoquinolin-3-ylphenyl)-5,5-dihexylindeno[1,2-b]pyridin-9-ol
CID 136012940
5,5-Dibutyl-2-(4-fluoro-3-isoquinolin-3-ylphenyl)indeno[1,2-b]pyridin-9-ol
CID 136012952
CID 168351279
CID 168351279
Beryllium bis(17,17-dimethyl-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-9-olate)
CID 58049939
Beryllium bis(5,5-dimethyl-3-naphthalen-1-ylindeno[1,2-b]pyridin-9-olate)
CID 58049963
Beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
CID 58049972
Beryllium bis(12,12-dimethyl-3,9-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-olate)
CID 58049982
Beryllium bis(17,17-dimethyl-14-phenyl-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-9-olate)
CID 58050033
Beryllium bis(12,12-dimethyl-3-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-21-olate)
CID 58050050
Beryllium bis(17,17-dimethyl-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-9-olate)
CID 58050052
Beryllium bis(12,12-dimethyl-21-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-3-olate)
CID 58050069
Beryllium bis(11,11-dimethylindeno[1,2-c]isoquinolin-7-olate)
CID 58050086

Frequently Asked Questions

What is the IUPAC name of beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)?
The IUPAC name of beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) (CID 58049922) is beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate).
What is the SMILES notation for beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)?
The canonical SMILES for beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) is CC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].CC1(C)c2cccnc2-c2c1cc1ccncc1c2[O-].[Be+2].
What is the InChIKey of beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)?
The InChIKey is HMPHGOSIARQCSC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14N2O.Be/c2*1-17(2)12-4-3-6-19-15(12)14-13(17)8-10-5-7-18-9-11(10)16(14)20;/h2*3-9,20H,1-2H3;/q;;+2/p-2.
What are the key properties of beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate)?
beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) has a molecular weight of 531.62 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(17,17-dimethyl-6,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-9-olate) is sourced from PubChem (CID 58049922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).