18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene

C24H15N3+2 — CID 102012566

IUPAC18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene
SMILESc1ccc2c(c1)[NH+]=c1c-2c2c(c3c1[nH]c1ccccc13)=[NH+]c1ccccc1-2
InChIInChI=1S/C24H13N3/c1-4-10-16-13(7-1)19-20-14-8-2-5-11-17(14)26-23(20)24-21(22(19)25-16)15-9-3-6-12-18(15)27-24/h1-12,27H/p+2
InChIKeyJWBSWAXNRBIYRC-UHFFFAOYSA-P
MW345.41 g/mol
LogP1.35
Rot. Bonds

About 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene

18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene (PubChem CID 102012566) has the molecular formula C24H15N3+2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene.

Molecular Properties

Compound Name18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene
PubChem CID102012566
Molecular FormulaC24H15N3+2
Molecular Weight345.41 g/mol
Exact Mass345.13
IUPAC Name18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene
SMILESc1ccc2c(c1)[NH+]=c1c-2c2c(c3c1[nH]c1ccccc13)=[NH+]c1ccccc1-2
InChIInChI=1S/C24H13N3/c1-4-10-16-13(7-1)19-20-14-8-2-5-11-17(14)26-23(20)24-21(22(19)25-16)15-9-3-6-12-18(15)27-24/h1-12,27H/p+2
InChIKeyJWBSWAXNRBIYRC-UHFFFAOYSA-P
XLogP1.35
TPSA43.73 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene with MolForge

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CID 10086414
9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 158392465
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
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Frequently Asked Questions

What is the IUPAC name of 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene?
The IUPAC name of 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene (CID 102012566) is 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene.
What is the SMILES notation for 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene?
The canonical SMILES for 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene is c1ccc2c(c1)[NH+]=c1c-2c2c(c3c1[nH]c1ccccc13)=[NH+]c1ccccc1-2.
What is the InChIKey of 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene?
The InChIKey is JWBSWAXNRBIYRC-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H13N3/c1-4-10-16-13(7-1)19-20-14-8-2-5-11-17(14)26-23(20)24-21(22(19)25-16)15-9-3-6-12-18(15)27-24/h1-12,27H/p+2.
What are the key properties of 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene?
18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene has a molecular weight of 345.41 g/mol, XLogP of 1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-aza-9,21-diazoniaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,9,11(19),12,14,16,20,22,24,26-tridecaene is sourced from PubChem (CID 102012566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).