[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide

C37H56N6 — CID 58133361

IUPAC[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21
InChIInChI=1S/C37H56N6/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(40-42-38)23-25-33(35)34-26-24-32(41-43-39)30-36(34)37/h23-26,29-30H,3-22,27-28H2,1-2H3
InChIKeyRZGDDQNOGRZORC-UHFFFAOYSA-N
MW584.90 g/mol
LogP12.48
Rot. Bonds23

About [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide

[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide (PubChem CID 58133361) has the molecular formula C37H56N6 and a molecular weight of 584.90 g/mol. Its IUPAC name is [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide
PubChem CID58133361
Molecular FormulaC37H56N6
Molecular Weight584.90 g/mol
Exact Mass584.46
IUPAC Name[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21
InChIInChI=1S/C37H56N6/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(40-42-38)23-25-33(35)34-26-24-32(41-43-39)30-36(34)37/h23-26,29-30H,3-22,27-28H2,1-2H3
InChIKeyRZGDDQNOGRZORC-UHFFFAOYSA-N
XLogP12.48
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.90
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide (CID 58133361) is [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide is CCCCCCCCCCCCC1(CCCCCCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21.
What is the InChIKey of [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide?
The InChIKey is RZGDDQNOGRZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N6/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(40-42-38)23-25-33(35)34-26-24-32(41-43-39)30-36(34)37/h23-26,29-30H,3-22,27-28H2,1-2H3.
What are the key properties of [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide?
[(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide has a molecular weight of 584.90 g/mol, XLogP of 12.48, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-diazonioimino-9,9-didodecylfluoren-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 58133361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).