6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene

C18H19N7+2 — CID 101049409

IUPAC6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene
SMILESc1cc2cc(c1)C[n+]1ccn(c1)Cc1nc(n[nH]1)Cn1cc[n+](c1)C2
InChIInChI=1S/C18H19N7/c1-2-15-8-16(3-1)10-23-5-7-25(14-23)12-18-19-17(20-21-18)11-24-6-4-22(9-15)13-24/h1-8,13-14H,9-12H2,(H,19,20,21)/q+2
InChIKeyQOVVHDVSBJLIRF-UHFFFAOYSA-N
MW333.40 g/mol
LogP0.49
Rot. Bonds

About 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene

6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene (PubChem CID 101049409) has the molecular formula C18H19N7+2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene.

Molecular Properties

Compound Name6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene
PubChem CID101049409
Molecular FormulaC18H19N7+2
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene
SMILESc1cc2cc(c1)C[n+]1ccn(c1)Cc1nc(n[nH]1)Cn1cc[n+](c1)C2
InChIInChI=1S/C18H19N7/c1-2-15-8-16(3-1)10-23-5-7-25(14-23)12-18-19-17(20-21-18)11-24-6-4-22(9-15)13-24/h1-8,13-14H,9-12H2,(H,19,20,21)/q+2
InChIKeyQOVVHDVSBJLIRF-UHFFFAOYSA-N
XLogP0.49
TPSA59.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene?
The IUPAC name of 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene (CID 101049409) is 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene.
What is the SMILES notation for 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene?
The canonical SMILES for 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene is c1cc2cc(c1)C[n+]1ccn(c1)Cc1nc(n[nH]1)Cn1cc[n+](c1)C2.
What is the InChIKey of 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene?
The InChIKey is QOVVHDVSBJLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-15-8-16(3-1)10-23-5-7-25(14-23)12-18-19-17(20-21-18)11-24-6-4-22(9-15)13-24/h1-8,13-14H,9-12H2,(H,19,20,21)/q+2.
What are the key properties of 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene?
6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene has a molecular weight of 333.40 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene is sourced from PubChem (CID 101049409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).