2-bromo-7-isocyano-9,9-dipropylfluorene

C20H20BrN — CID 140702286

IUPAC2-bromo-7-isocyano-9,9-dipropylfluorene
SMILES[C-]#[N+]c1ccc2c(c1)C(CCC)(CCC)c1cc(Br)ccc1-2
InChIInChI=1S/C20H20BrN/c1-4-10-20(11-5-2)18-12-14(21)6-8-16(18)17-9-7-15(22-3)13-19(17)20/h6-9,12-13H,4-5,10-11H2,1-2H3
InChIKeyDRDVPQOCECVPCK-UHFFFAOYSA-N
MW354.29 g/mol
LogP6.87
Rot. Bonds4

About 2-bromo-7-isocyano-9,9-dipropylfluorene

2-bromo-7-isocyano-9,9-dipropylfluorene (PubChem CID 140702286) has the molecular formula C20H20BrN and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-bromo-7-isocyano-9,9-dipropylfluorene.

Molecular Properties

Compound Name2-bromo-7-isocyano-9,9-dipropylfluorene
PubChem CID140702286
Molecular FormulaC20H20BrN
Molecular Weight354.29 g/mol
Exact Mass353.08
IUPAC Name2-bromo-7-isocyano-9,9-dipropylfluorene
SMILES[C-]#[N+]c1ccc2c(c1)C(CCC)(CCC)c1cc(Br)ccc1-2
InChIInChI=1S/C20H20BrN/c1-4-10-20(11-5-2)18-12-14(21)6-8-16(18)17-9-7-15(22-3)13-19(17)20/h6-9,12-13H,4-5,10-11H2,1-2H3
InChIKeyDRDVPQOCECVPCK-UHFFFAOYSA-N
XLogP6.87
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 56.87
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

2-bromo-7-(7-bromo-9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 90202241
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
4-[2-(7-isocyano-9,9-dipropylfluoren-2-yl)ethynyl]-N,N-diphenylaniline
CID 140702285
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene;ethane
CID 143104175
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
CID 68813933
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2,8-dibromo-6,6,12,12-tetrakis(3-bromopropyl)indeno[1,2-b]fluorene
CID 137443816
2,7-dibromo-9,9-bis(8-bromooctyl)fluorene
CID 58274129
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9,9-dihexylfluorene
CID 18674600
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-isocyano-9,9-dipropylfluorene?
The IUPAC name of 2-bromo-7-isocyano-9,9-dipropylfluorene (CID 140702286) is 2-bromo-7-isocyano-9,9-dipropylfluorene.
What is the SMILES notation for 2-bromo-7-isocyano-9,9-dipropylfluorene?
The canonical SMILES for 2-bromo-7-isocyano-9,9-dipropylfluorene is [C-]#[N+]c1ccc2c(c1)C(CCC)(CCC)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-isocyano-9,9-dipropylfluorene?
The InChIKey is DRDVPQOCECVPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN/c1-4-10-20(11-5-2)18-12-14(21)6-8-16(18)17-9-7-15(22-3)13-19(17)20/h6-9,12-13H,4-5,10-11H2,1-2H3.
What are the key properties of 2-bromo-7-isocyano-9,9-dipropylfluorene?
2-bromo-7-isocyano-9,9-dipropylfluorene has a molecular weight of 354.29 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-isocyano-9,9-dipropylfluorene is sourced from PubChem (CID 140702286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).