beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate

C30H25BeN3O2+2 — CID 143516716

IUPACberyllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate
SMILES[Be+2].[O-]C1=C(c2[nH+]c3ccccc3n2-c2ccccc2)CCC=C1.[O-]c1ccccc1-c1cccc[nH+]1
InChIInChI=1S/C19H16N2O.C11H9NO.Be/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-3,5-9,11-13,22H,4,10H2;1-8,13H;/q;;+2
InChIKeyFRAQRZAAKQIJBY-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.73
Rot. Bonds3

About beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate

beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate (PubChem CID 143516716) has the molecular formula C30H25BeN3O2+2 and a molecular weight of 468.56 g/mol. Its IUPAC name is beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate.

Molecular Properties

Compound Nameberyllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate
PubChem CID143516716
Molecular FormulaC30H25BeN3O2+2
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Nameberyllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate
SMILES[Be+2].[O-]C1=C(c2[nH+]c3ccccc3n2-c2ccccc2)CCC=C1.[O-]c1ccccc1-c1cccc[nH+]1
InChIInChI=1S/C19H16N2O.C11H9NO.Be/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-3,5-9,11-13,22H,4,10H2;1-8,13H;/q;;+2
InChIKeyFRAQRZAAKQIJBY-UHFFFAOYSA-N
XLogP3.73
TPSA79.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
2-phenyl-5-[4-[2-[2-[9-phenyl-6-(2-phenylcyclohexa-1,3-dien-1-yl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
CID 70908934
5-phenyl-9,10-dihydrophenanthridin-6-one
CID 153394465
5-phenyl-6,7-dihydroindolo[3,2-b]quinoline
CID 91355123
lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
CID 159965073
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
2-phenyl-4,5-dihydroisoindole-1,3-diol
CID 54021150
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 166737490
9-[4-(5-phenylthiophen-2-yl)phenyl]-1,2-dihydrocarbazole
CID 71011281
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
7-(6,7-dihydrodibenzothiophen-2-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163755377

Frequently Asked Questions

What is the IUPAC name of beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate?
The IUPAC name of beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate (CID 143516716) is beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate.
What is the SMILES notation for beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate?
The canonical SMILES for beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate is [Be+2].[O-]C1=C(c2[nH+]c3ccccc3n2-c2ccccc2)CCC=C1.[O-]c1ccccc1-c1cccc[nH+]1.
What is the InChIKey of beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate?
The InChIKey is FRAQRZAAKQIJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O.C11H9NO.Be/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-3,5-9,11-13,22H,4,10H2;1-8,13H;/q;;+2.
What are the key properties of beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate?
beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate has a molecular weight of 468.56 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;2-(1-phenylbenzimidazol-3-ium-2-yl)cyclohexa-1,5-dien-1-olate;2-pyridin-1-ium-2-ylphenolate is sourced from PubChem (CID 143516716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).