2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene

C29H41N6+ — CID 102478788

IUPAC2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene
SMILES[H]/N=N/N=C1C=CC2=C3C=CC(=N[N+]#N)C=C3C(CCCCCCCC)(CCCCCCCC)C2=C1
InChIInChI=1S/C29H41N6/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(32-34-30)15-17-25(27)26-18-16-24(33-35-31)22-28(26)29/h15-18,21-22,30H,3-14,19-20H2,1-2H3/q+1/b32-23?,33-24?,34-30+
InChIKeyWWCKWXZZHVEARA-ZFKRTNBASA-N
MW473.69 g/mol
LogP9.37
Rot. Bonds15

About 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene

2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene (PubChem CID 102478788) has the molecular formula C29H41N6+ and a molecular weight of 473.69 g/mol. Its IUPAC name is 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene.

Molecular Properties

Compound Name2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene
PubChem CID102478788
Molecular FormulaC29H41N6+
Molecular Weight473.69 g/mol
Exact Mass473.34
IUPAC Name2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene
SMILES[H]/N=N/N=C1C=CC2=C3C=CC(=N[N+]#N)C=C3C(CCCCCCCC)(CCCCCCCC)C2=C1
InChIInChI=1S/C29H41N6/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(32-34-30)15-17-25(27)26-18-16-24(33-35-31)22-28(26)29/h15-18,21-22,30H,3-14,19-20H2,1-2H3/q+1/b32-23?,33-24?,34-30+
InChIKeyWWCKWXZZHVEARA-ZFKRTNBASA-N
XLogP9.37
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene?
The IUPAC name of 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene (CID 102478788) is 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene.
What is the SMILES notation for 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene?
The canonical SMILES for 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene is [H]/N=N/N=C1C=CC2=C3C=CC(=N[N+]#N)C=C3C(CCCCCCCC)(CCCCCCCC)C2=C1.
What is the InChIKey of 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene?
The InChIKey is WWCKWXZZHVEARA-ZFKRTNBASA-N. The full InChI is InChI=1S/C29H41N6/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(32-34-30)15-17-25(27)26-18-16-24(33-35-31)22-28(26)29/h15-18,21-22,30H,3-14,19-20H2,1-2H3/q+1/b32-23?,33-24?,34-30+.
What are the key properties of 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene?
2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene has a molecular weight of 473.69 g/mol, XLogP of 9.37, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazonioimino-7-(iminohydrazinylidene)-9,9-dioctylfluorene is sourced from PubChem (CID 102478788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).