16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide

C28H24Br2N6 — CID 11692917

IUPAC16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide
SMILES[Br-].[Br-].c1cc2nc(c1)Cn1c[n+](c3ccccc31)Cc1cccc(n1)C[n+]1cn(c3ccccc31)C2
InChIInChI=1S/C28H24N6.2BrH/c1-2-12-26-25(11-1)31-15-21-7-5-9-23(29-21)17-33-20-34(28-14-4-3-13-27(28)33)18-24-10-6-8-22(30-24)16-32(26)19-31;;/h1-14,19-20H,15-18H2;2*1H/q+2;;/p-2
InChIKeyFJMJJNNHHSQFTH-UHFFFAOYSA-L
MW604.35 g/mol
LogP-2.52
Rot. Bonds

About 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide

16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide (PubChem CID 11692917) has the molecular formula C28H24Br2N6 and a molecular weight of 604.35 g/mol. Its IUPAC name is 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide.

Molecular Properties

Compound Name16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide
PubChem CID11692917
Molecular FormulaC28H24Br2N6
Molecular Weight604.35 g/mol
Exact Mass602.04
IUPAC Name16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide
SMILES[Br-].[Br-].c1cc2nc(c1)Cn1c[n+](c3ccccc31)Cc1cccc(n1)C[n+]1cn(c3ccccc31)C2
InChIInChI=1S/C28H24N6.2BrH/c1-2-12-26-25(11-1)31-15-21-7-5-9-23(29-21)17-33-20-34(28-14-4-3-13-27(28)33)18-24-10-6-8-22(30-24)16-32(26)19-31;;/h1-14,19-20H,15-18H2;2*1H/q+2;;/p-2
InChIKeyFJMJJNNHHSQFTH-UHFFFAOYSA-L
XLogP-2.52
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.35
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide?
The IUPAC name of 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide (CID 11692917) is 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide.
What is the SMILES notation for 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide?
The canonical SMILES for 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide is [Br-].[Br-].c1cc2nc(c1)Cn1c[n+](c3ccccc31)Cc1cccc(n1)C[n+]1cn(c3ccccc31)C2.
What is the InChIKey of 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide?
The InChIKey is FJMJJNNHHSQFTH-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H24N6.2BrH/c1-2-12-26-25(11-1)31-15-21-7-5-9-23(29-21)17-33-20-34(28-14-4-3-13-27(28)33)18-24-10-6-8-22(30-24)16-32(26)19-31;;/h1-14,19-20H,15-18H2;2*1H/q+2;;/p-2.
What are the key properties of 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide?
16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide has a molecular weight of 604.35 g/mol, XLogP of -2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide is sourced from PubChem (CID 11692917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).