1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene

C24H22 — CID 59397611

IUPAC1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
SMILESC#CCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C24H22/c1-3-4-17-24(2,22-15-13-18-9-5-7-11-20(18)22)23-16-14-19-10-6-8-12-21(19)23/h1,5-16,22-23H,4,17H2,2H3
InChIKeyMXCRWZYUJKWDFD-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.03
Rot. Bonds4

About 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene

1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene (PubChem CID 59397611) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene.

Molecular Properties

Compound Name1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
PubChem CID59397611
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
SMILESC#CCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21
InChIInChI=1S/C24H22/c1-3-4-17-24(2,22-15-13-18-9-5-7-11-20(18)22)23-16-14-19-10-6-8-12-21(19)23/h1,5-16,22-23H,4,17H2,2H3
InChIKeyMXCRWZYUJKWDFD-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.03
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-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453
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
1-[2-(7aH-inden-1-yl)non-8-yn-2-yl]-1H-indene;zirconium(2+);dichloride
CID 173316924
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
(1S,2S)-2-pent-4-ynyl-1,2-dihydronaphthalen-1-ol
CID 101135942
3,3-bis(1H-inden-1-yl)pentan-1-ol;zirconium;dihydrochloride
CID 173219761
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
CID 19033347
1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene
CID 175337980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene?
The IUPAC name of 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene (CID 59397611) is 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene.
What is the SMILES notation for 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene?
The canonical SMILES for 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene is C#CCCC(C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21.
What is the InChIKey of 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene?
The InChIKey is MXCRWZYUJKWDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-3-4-17-24(2,22-15-13-18-9-5-7-11-20(18)22)23-16-14-19-10-6-8-12-21(19)23/h1,5-16,22-23H,4,17H2,2H3.
What are the key properties of 1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene?
1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene has a molecular weight of 310.44 g/mol, XLogP of 6.03, 4 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)hex-5-yn-2-yl]-1H-indene is sourced from PubChem (CID 59397611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).