beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)

C28H24BeN2O2 — CID 58049972

IUPACberyllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
SMILESCC1(C)c2cccnc2-c2c([O-])cccc21.CC1(C)c2cccnc2-c2c([O-])cccc21.[Be+2]
InChIInChI=1S/2C14H13NO.Be/c2*1-14(2)9-5-3-7-11(16)12(9)13-10(14)6-4-8-15-13;/h2*3-8,16H,1-2H3;/q;;+2/p-2
InChIKeyPNNUXWKOULPHIJ-UHFFFAOYSA-L
MW429.52 g/mol
LogP4.54
Rot. Bonds

About beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)

beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate) (PubChem CID 58049972) has the molecular formula C28H24BeN2O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate).

Molecular Properties

Compound Nameberyllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
PubChem CID58049972
Molecular FormulaC28H24BeN2O2
Molecular Weight429.52 g/mol
Exact Mass429.20
IUPAC Nameberyllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)
SMILESCC1(C)c2cccnc2-c2c([O-])cccc21.CC1(C)c2cccnc2-c2c([O-])cccc21.[Be+2]
InChIInChI=1S/2C14H13NO.Be/c2*1-14(2)9-5-3-7-11(16)12(9)13-10(14)6-4-8-15-13;/h2*3-8,16H,1-2H3;/q;;+2/p-2
InChIKeyPNNUXWKOULPHIJ-UHFFFAOYSA-L
XLogP4.54
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
9,9,20,20-tetramethyl-6-propan-2-yl-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaene
CID 170363221
11,11-dimethyl-8-(10-phenylanthracen-9-yl)-3,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaene
CID 118489067
8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
CID 163707899
12,12,23,23-tetramethyl-6,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
CID 170363282
5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 170363520
17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 164705526
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747246
3,3,14,14-tetramethyl-8,22-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363337
3,3,14,14-tetramethyl-15-oxa-8,17-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16(21),17,19-nonaene
CID 170363604
7-[14-(5,5-dimethylindeno[1,2-b]pyridin-7-yl)-6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13,15,17-nonaenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59845241

Frequently Asked Questions

What is the IUPAC name of beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)?
The IUPAC name of beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate) (CID 58049972) is beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate).
What is the SMILES notation for beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)?
The canonical SMILES for beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate) is CC1(C)c2cccnc2-c2c([O-])cccc21.CC1(C)c2cccnc2-c2c([O-])cccc21.[Be+2].
What is the InChIKey of beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)?
The InChIKey is PNNUXWKOULPHIJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H13NO.Be/c2*1-14(2)9-5-3-7-11(16)12(9)13-10(14)6-4-8-15-13;/h2*3-8,16H,1-2H3;/q;;+2/p-2.
What are the key properties of beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate)?
beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate) has a molecular weight of 429.52 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium bis(5,5-dimethylindeno[1,2-b]pyridin-9-olate) is sourced from PubChem (CID 58049972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).