13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

C21H22N4+2 — CID 159703702

IUPAC13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
SMILESC[n+]1ccc2c3c1c1nccc4c1c1n3c(c[n+]1C4)C(C)(C)C2(C)C
InChIInChI=1S/C21H22N4/c1-20(2)13-7-9-23(5)18-16-15-12(6-8-22-16)10-24-11-14(21(20,3)4)25(17(13)18)19(15)24/h6-9,11H,10H2,1-5H3/q+2
InChIKeySAJOANIBRXOAKI-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.68
Rot. Bonds

About 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene

13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (PubChem CID 159703702) has the molecular formula C21H22N4+2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.

Molecular Properties

Compound Name13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
PubChem CID159703702
Molecular FormulaC21H22N4+2
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene
SMILESC[n+]1ccc2c3c1c1nccc4c1c1n3c(c[n+]1C4)C(C)(C)C2(C)C
InChIInChI=1S/C21H22N4/c1-20(2)13-7-9-23(5)18-16-15-12(6-8-22-16)10-24-11-14(21(20,3)4)25(17(13)18)19(15)24/h6-9,11H,10H2,1-5H3/q+2
InChIKeySAJOANIBRXOAKI-UHFFFAOYSA-N
XLogP2.68
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The IUPAC name of 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene (CID 159703702) is 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene.
What is the SMILES notation for 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The canonical SMILES for 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is C[n+]1ccc2c3c1c1nccc4c1c1n3c(c[n+]1C4)C(C)(C)C2(C)C.
What is the InChIKey of 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
The InChIKey is SAJOANIBRXOAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-20(2)13-7-9-23(5)18-16-15-12(6-8-22-16)10-24-11-14(21(20,3)4)25(17(13)18)19(15)24/h6-9,11H,10H2,1-5H3/q+2.
What are the key properties of 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene?
13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene has a molecular weight of 330.44 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,14,14,18-pentamethyl-1,5-diaza-10,18-diazoniahexacyclo[10.8.0.02,10.03,8.04,19.015,20]icosa-2(10),3(8),4,6,11,15(20),16,18-octaene is sourced from PubChem (CID 159703702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).