1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene

C27H28 — CID 18927453

IUPAC1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
SMILESC#CCCCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C27H28/c1-3-4-5-6-11-20-27(2,25-18-16-21-12-7-9-14-23(21)25)26-19-17-22-13-8-10-15-24(22)26/h1,7-10,12-19,25-26H,4-6,11,20H2,2H3
InChIKeyHEGZYDFNKJTSDK-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.20
Rot. Bonds7

About 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene

1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene (PubChem CID 18927453) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene.

Molecular Properties

Compound Name1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
PubChem CID18927453
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
SMILESC#CCCCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C27H28/c1-3-4-5-6-11-20-27(2,25-18-16-21-12-7-9-14-23(21)25)26-19-17-22-13-8-10-15-24(22)26/h1,7-10,12-19,25-26H,4-6,11,20H2,2H3
InChIKeyHEGZYDFNKJTSDK-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.20
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-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611
1-[2-(7aH-inden-1-yl)non-8-yn-2-yl]-1H-indene;zirconium(2+);dichloride
CID 173316924
1-(2-cyclopenta-1,3-dien-1-ylhept-6-yn-2-yl)-1H-indene
CID 18927480
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol
CID 101135942
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
N-prop-2-ynyl-1H-inden-1-amine
CID 20977367
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
3,3-bis(1H-inden-1-yl)pentan-1-ol;zirconium;dihydrochloride
CID 173219761
4-cyclopenta-1,3-dien-1-yl-4-(1H-inden-1-yl)pentan-1-ol
CID 18622744
hexyl-tris(1H-inden-1-yl)silane
CID 10837596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene?
The IUPAC name of 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene (CID 18927453) is 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene.
What is the SMILES notation for 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene?
The canonical SMILES for 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene is C#CCCCCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene?
The InChIKey is HEGZYDFNKJTSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-3-4-5-6-11-20-27(2,25-18-16-21-12-7-9-14-23(21)25)26-19-17-22-13-8-10-15-24(22)26/h1,7-10,12-19,25-26H,4-6,11,20H2,2H3.
What are the key properties of 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene?
1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene has a molecular weight of 352.52 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene is sourced from PubChem (CID 18927453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).