7-isocyano-1,2,3,4-tetramethyl-9H-fluorene

C18H17N — CID 159564863

IUPAC7-isocyano-1,2,3,4-tetramethyl-9H-fluorene
SMILES[C-]#[N+]c1ccc2c(c1)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C18H17N/c1-10-11(2)13(4)18-16-7-6-15(19-5)8-14(16)9-17(18)12(10)3/h6-8H,9H2,1-4H3
InChIKeyUWZQCJSUEADKFD-UHFFFAOYSA-N
MW247.34 g/mol
LogP5.04
Rot. Bonds

About 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene

7-isocyano-1,2,3,4-tetramethyl-9H-fluorene (PubChem CID 159564863) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene.

Molecular Properties

Compound Name7-isocyano-1,2,3,4-tetramethyl-9H-fluorene
PubChem CID159564863
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name7-isocyano-1,2,3,4-tetramethyl-9H-fluorene
SMILES[C-]#[N+]c1ccc2c(c1)Cc1c(C)c(C)c(C)c(C)c1-2
InChIInChI=1S/C18H17N/c1-10-11(2)13(4)18-16-7-6-15(19-5)8-14(16)9-17(18)12(10)3/h6-8H,9H2,1-4H3
InChIKeyUWZQCJSUEADKFD-UHFFFAOYSA-N
XLogP5.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-isocyano-1,3-dihydroinden-2-one
CID 58169635
5-isocyano-2,3-dihydroisoindol-1-one
CID 123852745
6-isocyano-3,4-dihydro-2H-naphthalen-1-one
CID 20814711
5,6,7,8-tetramethyl-9H-indeno[2,1-b]pyridine
CID 157054008
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
5-isocyano-2,3-dihydro-1-benzofuran
CID 83479252
1,3,4,6-tetramethyl-9H-indeno[2,1-c]pyridine
CID 158827441
2-(6-isocyano-9H-fluoren-1-yl)pyridine
CID 162258416
(5Z,11E)-5,11-bis[cyano(isocyano)methylidene]-3-isocyano-6,12-dihydroindeno[1,2-b]fluorene-9-carbonitrile
CID 160880778
6-isocyano-2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 140655860
1,2,3,4,5,6-hexamethylbenzene;1,3,4,5,6,8-hexamethyl-2,7-bis(2,3,4,5,6-pentamethylphenyl)-9H-fluorene;1,2,3,4,5,6,7,8-octamethyl-9H-fluorene
CID 162165852
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135

Frequently Asked Questions

What is the IUPAC name of 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene?
The IUPAC name of 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene (CID 159564863) is 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene.
What is the SMILES notation for 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene?
The canonical SMILES for 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene is [C-]#[N+]c1ccc2c(c1)Cc1c(C)c(C)c(C)c(C)c1-2.
What is the InChIKey of 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene?
The InChIKey is UWZQCJSUEADKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-10-11(2)13(4)18-16-7-6-15(19-5)8-14(16)9-17(18)12(10)3/h6-8H,9H2,1-4H3.
What are the key properties of 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene?
7-isocyano-1,2,3,4-tetramethyl-9H-fluorene has a molecular weight of 247.34 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-1,2,3,4-tetramethyl-9H-fluorene is sourced from PubChem (CID 159564863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).