beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate

C26H19BeNO+2 — CID 58050066

IUPACberyllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate
SMILESCC1(C)c2c([nH+]cc3cc4ccccc4cc23)-c2c([O-])cc3ccccc3c21.[Be+2]
InChIInChI=1S/C26H19NO.Be/c1-26(2)23-19-10-6-5-9-17(19)13-21(28)22(23)25-24(26)20-12-16-8-4-3-7-15(16)11-18(20)14-27-25;/h3-14,28H,1-2H3;/q;+2
InChIKeyBRPPHSOODKSJFL-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.96
Rot. Bonds

About beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate

beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate (PubChem CID 58050066) has the molecular formula C26H19BeNO+2 and a molecular weight of 370.46 g/mol. Its IUPAC name is beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate.

Molecular Properties

Compound Nameberyllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate
PubChem CID58050066
Molecular FormulaC26H19BeNO+2
Molecular Weight370.46 g/mol
Exact Mass370.16
IUPAC Nameberyllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate
SMILESCC1(C)c2c([nH+]cc3cc4ccccc4cc23)-c2c([O-])cc3ccccc3c21.[Be+2]
InChIInChI=1S/C26H19NO.Be/c1-26(2)23-19-10-6-5-9-17(19)13-21(28)22(23)25-24(26)20-12-16-8-4-3-7-15(16)11-18(20)14-27-25;/h3-14,28H,1-2H3;/q;+2
InChIKeyBRPPHSOODKSJFL-UHFFFAOYSA-N
XLogP4.96
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate?
The IUPAC name of beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate (CID 58050066) is beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate.
What is the SMILES notation for beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate?
The canonical SMILES for beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate is CC1(C)c2c([nH+]cc3cc4ccccc4cc23)-c2c([O-])cc3ccccc3c21.[Be+2].
What is the InChIKey of beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate?
The InChIKey is BRPPHSOODKSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO.Be/c1-26(2)23-19-10-6-5-9-17(19)13-21(28)22(23)25-24(26)20-12-16-8-4-3-7-15(16)11-18(20)14-27-25;/h3-14,28H,1-2H3;/q;+2.
What are the key properties of beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate?
beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate has a molecular weight of 370.46 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 25,25-dimethyl-13-azoniahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaen-16-olate is sourced from PubChem (CID 58050066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).