14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

C30H21GeN2+ — CID 161058042

IUPAC14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc([Ge]2(c3ccccc3)c3cccc4c3-n3c5c2cccc5c2ccc[n+](c23)C4)cc1
InChIInChI=1S/C30H21GeN2/c1-3-11-22(12-4-1)31(23-13-5-2-6-14-23)26-17-7-10-21-20-32-19-9-16-25-24-15-8-18-27(31)29(24)33(28(21)26)30(25)32/h1-19H,20H2/q+1
InChIKeyFFTWDOUAAZDEPJ-UHFFFAOYSA-N
MW482.12 g/mol
LogP3.12
Rot. Bonds2

About 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene

14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 161058042) has the molecular formula C30H21GeN2+ and a molecular weight of 482.12 g/mol. Its IUPAC name is 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID161058042
Molecular FormulaC30H21GeN2+
Molecular Weight482.12 g/mol
Exact Mass483.09
IUPAC Name14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESc1ccc([Ge]2(c3ccccc3)c3cccc4c3-n3c5c2cccc5c2ccc[n+](c23)C4)cc1
InChIInChI=1S/C30H21GeN2/c1-3-11-22(12-4-1)31(23-13-5-2-6-14-23)26-17-7-10-21-20-32-19-9-16-25-24-15-8-18-27(31)29(24)33(28(21)26)30(25)32/h1-19H,20H2/q+1
InChIKeyFFTWDOUAAZDEPJ-UHFFFAOYSA-N
XLogP3.12
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.12
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 161058042) is 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is c1ccc([Ge]2(c3ccccc3)c3cccc4c3-n3c5c2cccc5c2ccc[n+](c23)C4)cc1.
What is the InChIKey of 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is FFTWDOUAAZDEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21GeN2/c1-3-11-22(12-4-1)31(23-13-5-2-6-14-23)26-17-7-10-21-20-32-19-9-16-25-24-15-8-18-27(31)29(24)33(28(21)26)30(25)32/h1-19H,20H2/q+1.
What are the key properties of 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene?
14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 482.12 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-diphenyl-1-aza-7-azonia-14-germahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 161058042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).