1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene

C32H32 — CID 173316701

IUPAC1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene
SMILESC#CCCCCCC1C(C(C)(C)c2cccc3c2Cc2ccccc2-3)=Cc2ccccc21
InChIInChI=1S/C32H32/c1-4-5-6-7-8-18-28-26-17-12-10-15-24(26)22-31(28)32(2,3)30-20-13-19-27-25-16-11-9-14-23(25)21-29(27)30/h1,9-17,19-20,22,28H,5-8,18,21H2,2-3H3
InChIKeyHSYUSLVCLFSYGJ-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.30
Rot. Bonds7

About 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene

1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene (PubChem CID 173316701) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene
PubChem CID173316701
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene
SMILESC#CCCCCCC1C(C(C)(C)c2cccc3c2Cc2ccccc2-3)=Cc2ccccc21
InChIInChI=1S/C32H32/c1-4-5-6-7-8-18-28-26-17-12-10-15-24(26)22-31(28)32(2,3)30-20-13-19-27-25-16-11-9-14-23(25)21-29(27)30/h1,9-17,19-20,22,28H,5-8,18,21H2,2-3H3
InChIKeyHSYUSLVCLFSYGJ-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.30
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

1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
CID 18477278
2-non-8-ynyl-9H-fluorene
CID 18927529
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 139709795
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9-[2-(9H-fluoren-9-yl)propan-2-yl]-4-hex-5-ynyl-9H-fluorene
CID 173316805
1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene (CID 173316701) is 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene is C#CCCCCCC1C(C(C)(C)c2cccc3c2Cc2ccccc2-3)=Cc2ccccc21.
What is the InChIKey of 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene?
The InChIKey is HSYUSLVCLFSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-4-5-6-7-8-18-28-26-17-12-10-15-24(26)22-31(28)32(2,3)30-20-13-19-27-25-16-11-9-14-23(25)21-29(27)30/h1,9-17,19-20,22,28H,5-8,18,21H2,2-3H3.
What are the key properties of 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene?
1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene has a molecular weight of 416.61 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hept-6-ynyl-1H-inden-2-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 173316701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).