9,9-didecylfluorene-2,7-dicarbonitrile

C35H48N2 — CID 22242546

IUPAC9,9-didecylfluorene-2,7-dicarbonitrile
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21
InChIInChI=1S/C35H48N2/c1-3-5-7-9-11-13-15-17-23-35(24-18-16-14-12-10-8-6-4-2)33-25-29(27-36)19-21-31(33)32-22-20-30(28-37)26-34(32)35/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyPAZSUAHBULLMOP-UHFFFAOYSA-N
MW496.78 g/mol
LogP10.76
Rot. Bonds18

About 9,9-didecylfluorene-2,7-dicarbonitrile

9,9-didecylfluorene-2,7-dicarbonitrile (PubChem CID 22242546) has the molecular formula C35H48N2 and a molecular weight of 496.78 g/mol. Its IUPAC name is 9,9-didecylfluorene-2,7-dicarbonitrile.

Molecular Properties

Compound Name9,9-didecylfluorene-2,7-dicarbonitrile
PubChem CID22242546
Molecular FormulaC35H48N2
Molecular Weight496.78 g/mol
Exact Mass496.38
IUPAC Name9,9-didecylfluorene-2,7-dicarbonitrile
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21
InChIInChI=1S/C35H48N2/c1-3-5-7-9-11-13-15-17-23-35(24-18-16-14-12-10-8-6-4-2)33-25-29(27-36)19-21-31(33)32-22-20-30(28-37)26-34(32)35/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyPAZSUAHBULLMOP-UHFFFAOYSA-N
XLogP10.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-didecylfluorene-2,7-dicarbonitrile?
The IUPAC name of 9,9-didecylfluorene-2,7-dicarbonitrile (CID 22242546) is 9,9-didecylfluorene-2,7-dicarbonitrile.
What is the SMILES notation for 9,9-didecylfluorene-2,7-dicarbonitrile?
The canonical SMILES for 9,9-didecylfluorene-2,7-dicarbonitrile is CCCCCCCCCCC1(CCCCCCCCCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21.
What is the InChIKey of 9,9-didecylfluorene-2,7-dicarbonitrile?
The InChIKey is PAZSUAHBULLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2/c1-3-5-7-9-11-13-15-17-23-35(24-18-16-14-12-10-8-6-4-2)33-25-29(27-36)19-21-31(33)32-22-20-30(28-37)26-34(32)35/h19-22,25-26H,3-18,23-24H2,1-2H3.
What are the key properties of 9,9-didecylfluorene-2,7-dicarbonitrile?
9,9-didecylfluorene-2,7-dicarbonitrile has a molecular weight of 496.78 g/mol, XLogP of 10.76, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-didecylfluorene-2,7-dicarbonitrile is sourced from PubChem (CID 22242546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).