24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene

C24H20N+ — CID 158071745

IUPAC24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene
SMILESc1ccc2c(c1)-c1cccc3[n+]1C21c2c(cccc2C2CCCC21)C3
InChIInChI=1S/C24H20N/c1-2-11-21-19(8-1)22-13-4-7-16-14-15-6-3-10-18-17-9-5-12-20(17)24(21,23(15)18)25(16)22/h1-4,6-8,10-11,13,17,20H,5,9,12,14H2/q+1
InChIKeyQXRURFSMYPGYJV-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.55
Rot. Bonds

About 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene

24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene (PubChem CID 158071745) has the molecular formula C24H20N+ and a molecular weight of 322.43 g/mol. Its IUPAC name is 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene.

Molecular Properties

Compound Name24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene
PubChem CID158071745
Molecular FormulaC24H20N+
Molecular Weight322.43 g/mol
Exact Mass322.16
IUPAC Name24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene
SMILESc1ccc2c(c1)-c1cccc3[n+]1C21c2c(cccc2C2CCCC21)C3
InChIInChI=1S/C24H20N/c1-2-11-21-19(8-1)22-13-4-7-16-14-15-6-3-10-18-17-9-5-12-20(17)24(21,23(15)18)25(16)22/h1-4,6-8,10-11,13,17,20H,5,9,12,14H2/q+1
InChIKeyQXRURFSMYPGYJV-UHFFFAOYSA-N
XLogP4.55
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene?
The IUPAC name of 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene (CID 158071745) is 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene.
What is the SMILES notation for 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene?
The canonical SMILES for 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene is c1ccc2c(c1)-c1cccc3[n+]1C21c2c(cccc2C2CCCC21)C3.
What is the InChIKey of 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene?
The InChIKey is QXRURFSMYPGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N/c1-2-11-21-19(8-1)22-13-4-7-16-14-15-6-3-10-18-17-9-5-12-20(17)24(21,23(15)18)25(16)22/h1-4,6-8,10-11,13,17,20H,5,9,12,14H2/q+1.
What are the key properties of 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene?
24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene has a molecular weight of 322.43 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 24-azoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-7,9,11(25),13(24),14,16,18,20,22-nonaene is sourced from PubChem (CID 158071745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).