1-[tris(1H-inden-1-yl)methyl]-1H-indene

C37H28 — CID 57113891

IUPAC1-[tris(1H-inden-1-yl)methyl]-1H-indene
SMILESC1=CC(C(C2C=Cc3ccccc32)(C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C37H28/c1-5-13-29-25(9-1)17-21-33(29)37(34-22-18-26-10-2-6-14-30(26)34,35-23-19-27-11-3-7-15-31(27)35)36-24-20-28-12-4-8-16-32(28)36/h1-24,33-36H
InChIKeyUCCZQFBIJXZYLI-UHFFFAOYSA-N
MW472.63 g/mol
LogP9.22
Rot. Bonds4

About 1-[tris(1H-inden-1-yl)methyl]-1H-indene

1-[tris(1H-inden-1-yl)methyl]-1H-indene (PubChem CID 57113891) has the molecular formula C37H28 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-[tris(1H-inden-1-yl)methyl]-1H-indene.

Molecular Properties

Compound Name1-[tris(1H-inden-1-yl)methyl]-1H-indene
PubChem CID57113891
Molecular FormulaC37H28
Molecular Weight472.63 g/mol
Exact Mass472.22
IUPAC Name1-[tris(1H-inden-1-yl)methyl]-1H-indene
SMILESC1=CC(C(C2C=Cc3ccccc32)(C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21
InChIInChI=1S/C37H28/c1-5-13-29-25(9-1)17-21-33(29)37(34-22-18-26-10-2-6-14-30(26)34,35-23-19-27-11-3-7-15-31(27)35)36-24-20-28-12-4-8-16-32(28)36/h1-24,33-36H
InChIKeyUCCZQFBIJXZYLI-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
1H-inden-1-amine
CID 14298803
1-[1,1-dichloro-2-(1H-inden-1-yl)ethyl]-1H-indene
CID 175337980
tetrakis(1H-inden-1-yl)silane
CID 18688182
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
CID 19033347
3,3-bis(1H-inden-1-yl)pentan-1-ol;zirconium;dihydrochloride
CID 173219761
CID 10809432
CID 10809432
CID 119077465
CID 119077465
hydron;1H-inden-1-ol
CID 174812636

Frequently Asked Questions

What is the IUPAC name of 1-[tris(1H-inden-1-yl)methyl]-1H-indene?
The IUPAC name of 1-[tris(1H-inden-1-yl)methyl]-1H-indene (CID 57113891) is 1-[tris(1H-inden-1-yl)methyl]-1H-indene.
What is the SMILES notation for 1-[tris(1H-inden-1-yl)methyl]-1H-indene?
The canonical SMILES for 1-[tris(1H-inden-1-yl)methyl]-1H-indene is C1=CC(C(C2C=Cc3ccccc32)(C2C=Cc3ccccc32)C2C=Cc3ccccc32)c2ccccc21.
What is the InChIKey of 1-[tris(1H-inden-1-yl)methyl]-1H-indene?
The InChIKey is UCCZQFBIJXZYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28/c1-5-13-29-25(9-1)17-21-33(29)37(34-22-18-26-10-2-6-14-30(26)34,35-23-19-27-11-3-7-15-31(27)35)36-24-20-28-12-4-8-16-32(28)36/h1-24,33-36H.
What are the key properties of 1-[tris(1H-inden-1-yl)methyl]-1H-indene?
1-[tris(1H-inden-1-yl)methyl]-1H-indene has a molecular weight of 472.63 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tris(1H-inden-1-yl)methyl]-1H-indene is sourced from PubChem (CID 57113891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).