2-ethynyl-9,9-dimethyl-7-phenylfluorene

C23H18 — CID 59798595

IUPAC2-ethynyl-9,9-dimethyl-7-phenylfluorene
SMILESC#Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C23H18/c1-4-16-10-12-19-20-13-11-18(17-8-6-5-7-9-17)15-22(20)23(2,3)21(19)14-16/h1,5-15H,2-3H3
InChIKeyXOXUCBFRVKKJRH-UHFFFAOYSA-N
MW294.40 g/mol
LogP5.64
Rot. Bonds1

About 2-ethynyl-9,9-dimethyl-7-phenylfluorene

2-ethynyl-9,9-dimethyl-7-phenylfluorene (PubChem CID 59798595) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-ethynyl-9,9-dimethyl-7-phenylfluorene.

Molecular Properties

Compound Name2-ethynyl-9,9-dimethyl-7-phenylfluorene
PubChem CID59798595
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name2-ethynyl-9,9-dimethyl-7-phenylfluorene
SMILESC#Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C23H18/c1-4-16-10-12-19-20-13-11-18(17-8-6-5-7-9-17)15-22(20)23(2,3)21(19)14-16/h1,5-15H,2-3H3
InChIKeyXOXUCBFRVKKJRH-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'}

Analyze 2-ethynyl-9,9-dimethyl-7-phenylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
4-[2-(7-ethynyl-9,9-dimethylfluoren-2-yl)ethynyl]-N,N-diphenylaniline
CID 102033212
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-9,9-dimethyl-7-phenylfluorene?
The IUPAC name of 2-ethynyl-9,9-dimethyl-7-phenylfluorene (CID 59798595) is 2-ethynyl-9,9-dimethyl-7-phenylfluorene.
What is the SMILES notation for 2-ethynyl-9,9-dimethyl-7-phenylfluorene?
The canonical SMILES for 2-ethynyl-9,9-dimethyl-7-phenylfluorene is C#Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 2-ethynyl-9,9-dimethyl-7-phenylfluorene?
The InChIKey is XOXUCBFRVKKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-4-16-10-12-19-20-13-11-18(17-8-6-5-7-9-17)15-22(20)23(2,3)21(19)14-16/h1,5-15H,2-3H3.
What are the key properties of 2-ethynyl-9,9-dimethyl-7-phenylfluorene?
2-ethynyl-9,9-dimethyl-7-phenylfluorene 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-ethynyl-9,9-dimethyl-7-phenylfluorene is sourced from PubChem (CID 59798595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).