1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene

C30H22 — CID 151464335

IUPAC1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
SMILESC#CC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C30H22/c1-3-30(2,28-16-8-14-24-22-12-6-4-10-20(22)18-26(24)28)29-17-9-15-25-23-13-7-5-11-21(23)19-27(25)29/h1,4-17H,18-19H2,2H3
InChIKeyPJCZIAQTBMNCDL-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.77
Rot. Bonds2

About 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene

1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene (PubChem CID 151464335) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
PubChem CID151464335
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
SMILESC#CC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C30H22/c1-3-30(2,28-16-8-14-24-22-12-6-4-10-20(22)18-26(24)28)29-17-9-15-25-23-13-7-5-11-21(23)19-27(25)29/h1,4-17H,18-19H2,2H3
InChIKeyPJCZIAQTBMNCDL-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.77
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

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 139709795
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1,1-bis(9H-fluoren-1-yl)ethyl carbamate
CID 151505188
1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
1,3-ditert-butyl-9H-fluorene
CID 175163483
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 18477278
CID 123562270
CID 123562270
1-(1,1,2,2-tetraphenylethyl)-9H-fluorene
CID 151581060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene?
The IUPAC name of 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene (CID 151464335) is 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene?
The canonical SMILES for 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene is C#CC(C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene?
The InChIKey is PJCZIAQTBMNCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-3-30(2,28-16-8-14-24-22-12-6-4-10-20(22)18-26(24)28)29-17-9-15-25-23-13-7-5-11-21(23)19-27(25)29/h1,4-17H,18-19H2,2H3.
What are the key properties of 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene?
1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene has a molecular weight of 382.51 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene is sourced from PubChem (CID 151464335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).