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

C29H40N6 — CID 102478787

IUPAC[(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide
SMILESCCCCCCCCC1(CCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21
InChIInChI=1S/C29H40N6/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/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKeyVCIGXGOPJGGFCJ-UHFFFAOYSA-N
MW472.68 g/mol
LogP9.36
Rot. Bonds15

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

[(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide (PubChem CID 102478787) has the molecular formula C29H40N6 and a molecular weight of 472.68 g/mol. Its IUPAC name is [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide.

Molecular Properties

Compound Name[(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide
PubChem CID102478787
Molecular FormulaC29H40N6
Molecular Weight472.68 g/mol
Exact Mass472.33
IUPAC Name[(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide
SMILESCCCCCCCCC1(CCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21
InChIInChI=1S/C29H40N6/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/h15-18,21-22H,3-14,19-20H2,1-2H3
InChIKeyVCIGXGOPJGGFCJ-UHFFFAOYSA-N
XLogP9.36
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 59.36
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-dioctylfluoren-2-ylidene)hydrazinylidene]azanide?
The IUPAC name of [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide (CID 102478787) is [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide.
What is the SMILES notation for [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide?
The canonical SMILES for [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide is CCCCCCCCC1(CCCCCCCC)C2=CC(=NN=[N-])C=CC2=C2C=CC(=N[N+]#N)C=C21.
What is the InChIKey of [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide?
The InChIKey is VCIGXGOPJGGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6/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/h15-18,21-22H,3-14,19-20H2,1-2H3.
What are the key properties of [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide?
[(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide has a molecular weight of 472.68 g/mol, XLogP of 9.36, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-diazonioimino-9,9-dioctylfluoren-2-ylidene)hydrazinylidene]azanide is sourced from PubChem (CID 102478787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).