9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene

C35H32 — CID 173316805

IUPAC9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene
SMILESC#CCCCCc1cccc2c1-c1ccccc1C2C(C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H32/c1-4-5-6-7-15-24-16-14-23-31-32(24)27-19-10-13-22-30(27)34(31)35(2,3)33-28-20-11-8-17-25(28)26-18-9-12-21-29(26)33/h1,8-14,16-23,33-34H,5-7,15H2,2-3H3
InChIKeyDAWNDQBYHIKYIM-UHFFFAOYSA-N
MW452.64 g/mol
LogP8.98
Rot. Bonds6

About 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene

9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene (PubChem CID 173316805) has the molecular formula C35H32 and a molecular weight of 452.64 g/mol. Its IUPAC name is 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene.

Molecular Properties

Compound Name9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene
PubChem CID173316805
Molecular FormulaC35H32
Molecular Weight452.64 g/mol
Exact Mass452.25
IUPAC Name9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene
SMILESC#CCCCCc1cccc2c1-c1ccccc1C2C(C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H32/c1-4-5-6-7-15-24-16-14-23-31-32(24)27-19-10-13-22-30(27)34(31)35(2,3)33-28-20-11-8-17-25(28)26-18-9-12-21-29(26)33/h1,8-14,16-23,33-34H,5-7,15H2,2-3H3
InChIKeyDAWNDQBYHIKYIM-UHFFFAOYSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
1-pent-4-ynyl-2-phenylbenzene
CID 174539283
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
(9R,18R,27R)-9,18,27-tris[(2-ethynylphenyl)methyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 15448877
1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene
CID 173316701
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
CID 139962811
1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453
2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
CID 139962779
9-(2-methylbutan-2-yl)-9H-fluoren-4-ol
CID 162129903
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
CID 139962852
CID 11112856
CID 11112856

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene?
The IUPAC name of 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene (CID 173316805) is 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene.
What is the SMILES notation for 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene?
The canonical SMILES for 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene is C#CCCCCc1cccc2c1-c1ccccc1C2C(C)(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene?
The InChIKey is DAWNDQBYHIKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32/c1-4-5-6-7-15-24-16-14-23-31-32(24)27-19-10-13-22-30(27)34(31)35(2,3)33-28-20-11-8-17-25(28)26-18-9-12-21-29(26)33/h1,8-14,16-23,33-34H,5-7,15H2,2-3H3.
What are the key properties of 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene?
9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene has a molecular weight of 452.64 g/mol, XLogP of 8.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene is sourced from PubChem (CID 173316805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).