18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene

C24H24N3+ — CID 91376175

IUPAC18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene
SMILESCCC1(C)c2cccc3cc4ncc5cccc6c5[n+]4c(c23)n6C1(C)CC
InChIInChI=1S/C24H24N3/c1-5-23(3)17-11-7-9-15-13-19-25-14-16-10-8-12-18-21(16)26(19)22(20(15)17)27(18)24(23,4)6-2/h7-14H,5-6H2,1-4H3/q+1
InChIKeyFCCBFELKIPDDRQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.33
Rot. Bonds2

About 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene

18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene (PubChem CID 91376175) has the molecular formula C24H24N3+ and a molecular weight of 354.48 g/mol. Its IUPAC name is 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Name18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene
PubChem CID91376175
Molecular FormulaC24H24N3+
Molecular Weight354.48 g/mol
Exact Mass354.20
IUPAC Name18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene
SMILESCCC1(C)c2cccc3cc4ncc5cccc6c5[n+]4c(c23)n6C1(C)CC
InChIInChI=1S/C24H24N3/c1-5-23(3)17-11-7-9-15-13-19-25-14-16-10-8-12-18-21(16)26(19)22(20(15)17)27(18)24(23,4)6-2/h7-14H,5-6H2,1-4H3/q+1
InChIKeyFCCBFELKIPDDRQ-UHFFFAOYSA-N
XLogP5.33
TPSA21.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene (CID 91376175) is 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene is CCC1(C)c2cccc3cc4ncc5cccc6c5[n+]4c(c23)n6C1(C)CC.
What is the InChIKey of 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is FCCBFELKIPDDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N3/c1-5-23(3)17-11-7-9-15-13-19-25-14-16-10-8-12-18-21(16)26(19)22(20(15)17)27(18)24(23,4)6-2/h7-14H,5-6H2,1-4H3/q+1.
What are the key properties of 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene?
18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 354.48 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18,19-diethyl-18,19-dimethyl-10,20-diaza-2-azoniahexacyclo[11.7.1.02,11.03,8.04,20.017,21]henicosa-1(21),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 91376175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).