2,7-bis(prop-1-ynyl)-9H-fluorene

C19H14 — CID 15861923

IUPAC2,7-bis(prop-1-ynyl)-9H-fluorene
SMILESCC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2
InChIInChI=1S/C19H14/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18/h7-12H,13H2,1-2H3
InChIKeyUTULMULHMBSBFT-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.00
Rot. Bonds

About 2,7-bis(prop-1-ynyl)-9H-fluorene

2,7-bis(prop-1-ynyl)-9H-fluorene (PubChem CID 15861923) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,7-bis(prop-1-ynyl)-9H-fluorene.

Molecular Properties

Compound Name2,7-bis(prop-1-ynyl)-9H-fluorene
PubChem CID15861923
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name2,7-bis(prop-1-ynyl)-9H-fluorene
SMILESCC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2
InChIInChI=1S/C19H14/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18/h7-12H,13H2,1-2H3
InChIKeyUTULMULHMBSBFT-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(prop-1-ynyl)-9H-fluorene?
The IUPAC name of 2,7-bis(prop-1-ynyl)-9H-fluorene (CID 15861923) is 2,7-bis(prop-1-ynyl)-9H-fluorene.
What is the SMILES notation for 2,7-bis(prop-1-ynyl)-9H-fluorene?
The canonical SMILES for 2,7-bis(prop-1-ynyl)-9H-fluorene is CC#Cc1ccc2c(c1)Cc1cc(C#CC)ccc1-2.
What is the InChIKey of 2,7-bis(prop-1-ynyl)-9H-fluorene?
The InChIKey is UTULMULHMBSBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-3-5-14-7-9-18-16(11-14)13-17-12-15(6-4-2)8-10-19(17)18/h7-12H,13H2,1-2H3.
What are the key properties of 2,7-bis(prop-1-ynyl)-9H-fluorene?
2,7-bis(prop-1-ynyl)-9H-fluorene has a molecular weight of 242.32 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(prop-1-ynyl)-9H-fluorene is sourced from PubChem (CID 15861923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).