2-(2-ethynylphenyl)-9,9-dimethylfluorene

C23H18 — CID 153288294

IUPAC2-(2-ethynylphenyl)-9,9-dimethylfluorene
SMILESC#Cc1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H18/c1-4-16-9-5-6-10-18(16)17-13-14-20-19-11-7-8-12-21(19)23(2,3)22(20)15-17/h1,5-15H,2-3H3
InChIKeyMUXUYBPRVGZVMC-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.64
Rot. Bonds1

About 2-(2-ethynylphenyl)-9,9-dimethylfluorene

2-(2-ethynylphenyl)-9,9-dimethylfluorene (PubChem CID 153288294) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(2-ethynylphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(2-ethynylphenyl)-9,9-dimethylfluorene
PubChem CID153288294
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name2-(2-ethynylphenyl)-9,9-dimethylfluorene
SMILESC#Cc1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C23H18/c1-4-16-9-5-6-10-18(16)17-13-14-20-19-11-7-8-12-21(19)23(2,3)22(20)15-17/h1,5-15H,2-3H3
InChIKeyMUXUYBPRVGZVMC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
CID 143619792
CID 143619792
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-ethynyl-9,9-dimethyl-7-phenylfluorene
CID 59798595

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethynylphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(2-ethynylphenyl)-9,9-dimethylfluorene (CID 153288294) is 2-(2-ethynylphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(2-ethynylphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(2-ethynylphenyl)-9,9-dimethylfluorene is C#Cc1ccccc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(2-ethynylphenyl)-9,9-dimethylfluorene?
The InChIKey is MUXUYBPRVGZVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-4-16-9-5-6-10-18(16)17-13-14-20-19-11-7-8-12-21(19)23(2,3)22(20)15-17/h1,5-15H,2-3H3.
What are the key properties of 2-(2-ethynylphenyl)-9,9-dimethylfluorene?
2-(2-ethynylphenyl)-9,9-dimethylfluorene has a molecular weight of 294.40 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethynylphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 153288294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).