2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile

C32H10F12N4O2 — CID 90206174

IUPAC2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2-c2cc3c(cc21)C(=C(C#N)C#N)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-3
InChIInChI=1S/C32H10F12N4O2/c33-29(34,35)27(30(36,37)38)49-15-1-3-17-19-7-20-18-4-2-16(50-28(31(39,40)41)32(42,43)44)6-22(18)26(14(11-47)12-48)24(20)8-23(19)25(21(17)5-15)13(9-45)10-46/h1-8,27-28H
InChIKeyCWSVZTZIJIZXHV-UHFFFAOYSA-N
MW710.43 g/mol
LogP9.09
Rot. Bonds4

About 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile

2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile (PubChem CID 90206174) has the molecular formula C32H10F12N4O2 and a molecular weight of 710.43 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile
PubChem CID90206174
Molecular FormulaC32H10F12N4O2
Molecular Weight710.43 g/mol
Exact Mass710.06
IUPAC Name2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2-c2cc3c(cc21)C(=C(C#N)C#N)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-3
InChIInChI=1S/C32H10F12N4O2/c33-29(34,35)27(30(36,37)38)49-15-1-3-17-19-7-20-18-4-2-16(50-28(31(39,40)41)32(42,43)44)6-22(18)26(14(11-47)12-48)24(20)8-23(19)25(21(17)5-15)13(9-45)10-46/h1-8,27-28H
InChIKeyCWSVZTZIJIZXHV-UHFFFAOYSA-N
XLogP9.09
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.43
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile (CID 90206174) is 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile is N#CC(C#N)=C1c2cc(OC(C(F)(F)F)C(F)(F)F)ccc2-c2cc3c(cc21)C(=C(C#N)C#N)c1cc(OC(C(F)(F)F)C(F)(F)F)ccc1-3.
What is the InChIKey of 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile?
The InChIKey is CWSVZTZIJIZXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H10F12N4O2/c33-29(34,35)27(30(36,37)38)49-15-1-3-17-19-7-20-18-4-2-16(50-28(31(39,40)41)32(42,43)44)6-22(18)26(14(11-47)12-48)24(20)8-23(19)25(21(17)5-15)13(9-45)10-46/h1-8,27-28H.
What are the key properties of 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile has a molecular weight of 710.43 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-2,8-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)indeno[2,1-b]fluoren-12-ylidene]propanedinitrile is sourced from PubChem (CID 90206174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).