1,2-bis(2-ethynylphenyl)-9H-fluorene

C29H18 — CID 139911372

IUPAC1,2-bis(2-ethynylphenyl)-9H-fluorene
SMILESC#Cc1ccccc1-c1ccc2c(c1-c1ccccc1C#C)Cc1ccccc1-2
InChIInChI=1S/C29H18/c1-3-20-11-5-8-14-23(20)27-18-17-26-24-15-9-7-13-22(24)19-28(26)29(27)25-16-10-6-12-21(25)4-2/h1-2,5-18H,19H2
InChIKeyQALKDGRNZOJCGY-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.55
Rot. Bonds2

About 1,2-bis(2-ethynylphenyl)-9H-fluorene

1,2-bis(2-ethynylphenyl)-9H-fluorene (PubChem CID 139911372) has the molecular formula C29H18 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,2-bis(2-ethynylphenyl)-9H-fluorene.

Molecular Properties

Compound Name1,2-bis(2-ethynylphenyl)-9H-fluorene
PubChem CID139911372
Molecular FormulaC29H18
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name1,2-bis(2-ethynylphenyl)-9H-fluorene
SMILESC#Cc1ccccc1-c1ccc2c(c1-c1ccccc1C#C)Cc1ccccc1-2
InChIInChI=1S/C29H18/c1-3-20-11-5-8-14-23(20)27-18-17-26-24-15-9-7-13-22(24)19-28(26)29(27)25-16-10-6-12-21(25)4-2/h1-2,5-18H,19H2
InChIKeyQALKDGRNZOJCGY-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.55
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-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
10-ethynyl-11-prop-1-ynyl-7,12-dihydroindeno[1,2-a]fluorene
CID 157442256
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
1,4-bis[2,3-diethynyl-4-(2-ethynylphenyl)phenyl]-2,3-diethynylbenzene
CID 140707297
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-prop-1-ynyl-9H-fluorene
CID 151757411
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-ethynylphenyl)-9H-fluorene?
The IUPAC name of 1,2-bis(2-ethynylphenyl)-9H-fluorene (CID 139911372) is 1,2-bis(2-ethynylphenyl)-9H-fluorene.
What is the SMILES notation for 1,2-bis(2-ethynylphenyl)-9H-fluorene?
The canonical SMILES for 1,2-bis(2-ethynylphenyl)-9H-fluorene is C#Cc1ccccc1-c1ccc2c(c1-c1ccccc1C#C)Cc1ccccc1-2.
What is the InChIKey of 1,2-bis(2-ethynylphenyl)-9H-fluorene?
The InChIKey is QALKDGRNZOJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18/c1-3-20-11-5-8-14-23(20)27-18-17-26-24-15-9-7-13-22(24)19-28(26)29(27)25-16-10-6-12-21(25)4-2/h1-2,5-18H,19H2.
What are the key properties of 1,2-bis(2-ethynylphenyl)-9H-fluorene?
1,2-bis(2-ethynylphenyl)-9H-fluorene has a molecular weight of 366.46 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-ethynylphenyl)-9H-fluorene is sourced from PubChem (CID 139911372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).