2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile

C24H24N2 — CID 88942701

IUPAC2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile
SMILESCC(C)(C)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C24H24N2/c1-23(2,3)16-7-9-18-19-10-8-17(24(4,5)6)12-21(19)22(20(18)11-16)15(13-25)14-26/h7-12H,1-6H3
InChIKeyCMTDTUHYTJLXLM-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.11
Rot. Bonds

About 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile

2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile (PubChem CID 88942701) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile
PubChem CID88942701
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile
SMILESCC(C)(C)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C24H24N2/c1-23(2,3)16-7-9-18-19-10-8-17(24(4,5)6)12-21(19)22(20(18)11-16)15(13-25)14-26/h7-12H,1-6H3
InChIKeyCMTDTUHYTJLXLM-UHFFFAOYSA-N
XLogP6.11
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(2,7-diethylfluoren-9-ylidene)propanedinitrile
CID 89009110
2,10-ditert-butyltetraphenylene
CID 159208403
2-[12-(dicyanomethylidene)-2,8-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881721
2-[25-(dicyanomethylidene)-8-(4-methylphenyl)-22-[4-(trifluoromethyl)phenyl]-15-oxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaen-5-ylidene]propanedinitrile
CID 88884319
2-[12-(dicyanomethylidene)-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881733
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
3,6-ditert-butyl-9-(2-methylprop-1-enylidene)fluorene
CID 163303664
2-[2-[1-cyano-3-(dicyanomethylidene)-5-(trifluoromethoxy)inden-2-yl]-7-(trifluoromethyl)fluoren-9-ylidene]propanedinitrile
CID 121371787
2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88955320
[11-(dicyanomethylidene)benzo[b]fluoren-2-yl]boronic acid
CID 164575374
2-[6-cyano-10-oxo-2-(trifluoromethyl)thioxanthen-9-ylidene]propanedinitrile
CID 143578778
3,7-ditert-butyl-10-penta-1,4-diyn-3-ylidene-5-(2,4,6-trimethylphenyl)benzo[b][1]benzoborinine
CID 122367441

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile?
The IUPAC name of 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile (CID 88942701) is 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile?
The canonical SMILES for 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile is CC(C)(C)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile?
The InChIKey is CMTDTUHYTJLXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-23(2,3)16-7-9-18-19-10-8-17(24(4,5)6)12-21(19)22(20(18)11-16)15(13-25)14-26/h7-12H,1-6H3.
What are the key properties of 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile?
2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile has a molecular weight of 340.47 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butylfluoren-9-ylidene)propanedinitrile is sourced from PubChem (CID 88942701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).