23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene

C23H20N2+2 — CID 158151254

IUPAC23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene
SMILESc1ccc2c(c1)C1CCC3Cc4cccc5[n+]4C2(C31)[n+]1ccccc1-5
InChIInChI=1S/C23H20N2/c1-2-8-19-17(7-1)18-12-11-15-14-16-6-5-10-21-20-9-3-4-13-24(20)23(19,22(15)18)25(16)21/h1-10,13,15,18,22H,11-12,14H2/q+2
InChIKeyIFIKWLXJDCAQSV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.17
Rot. Bonds

About 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene

23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene (PubChem CID 158151254) has the molecular formula C23H20N2+2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene.

Molecular Properties

Compound Name23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene
PubChem CID158151254
Molecular FormulaC23H20N2+2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene
SMILESc1ccc2c(c1)C1CCC3Cc4cccc5[n+]4C2(C31)[n+]1ccccc1-5
InChIInChI=1S/C23H20N2/c1-2-8-19-17(7-1)18-12-11-15-14-16-6-5-10-21-20-9-3-4-13-24(20)23(19,22(15)18)25(16)21/h1-10,13,15,18,22H,11-12,14H2/q+2
InChIKeyIFIKWLXJDCAQSV-UHFFFAOYSA-N
XLogP3.17
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene?
The IUPAC name of 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene (CID 158151254) is 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene.
What is the SMILES notation for 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene?
The canonical SMILES for 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene is c1ccc2c(c1)C1CCC3Cc4cccc5[n+]4C2(C31)[n+]1ccccc1-5.
What is the InChIKey of 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene?
The InChIKey is IFIKWLXJDCAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-2-8-19-17(7-1)18-12-11-15-14-16-6-5-10-21-20-9-3-4-13-24(20)23(19,22(15)18)25(16)21/h1-10,13,15,18,22H,11-12,14H2/q+2.
What are the key properties of 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene?
23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene has a molecular weight of 324.43 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-diazoniaheptacyclo[11.10.1.11,8.02,7.017,24.018,23.011,25]pentacosa-2,4,6,13(24),14,16,18,20,22-nonaene is sourced from PubChem (CID 158151254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).