3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene

C25H24 — CID 101422795

IUPAC3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene
SMILESC1=C(C2(C3=CCc4ccccc43)C3CCC2CC3)c2ccccc2C1
InChIInChI=1S/C25H24/c1-3-7-21-17(5-1)9-15-23(21)25(19-11-12-20(25)14-13-19)24-16-10-18-6-2-4-8-22(18)24/h1-8,15-16,19-20H,9-14H2
InChIKeyKVKDKGFVAJDISC-UHFFFAOYSA-N
MW324.47 g/mol
LogP6.07
Rot. Bonds2

About 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene

3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene (PubChem CID 101422795) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene.

Molecular Properties

Compound Name3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene
PubChem CID101422795
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene
SMILESC1=C(C2(C3=CCc4ccccc43)C3CCC2CC3)c2ccccc2C1
InChIInChI=1S/C25H24/c1-3-7-21-17(5-1)9-15-23(21)25(19-11-12-20(25)14-13-19)24-16-10-18-6-2-4-8-22(18)24/h1-8,15-16,19-20H,9-14H2
InChIKeyKVKDKGFVAJDISC-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-methyl-1,3-dihydroinden-2-yl)-1H-indene
CID 20693144
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
CID 44614047
9H-benzo[7]annulene-5,7-diol
CID 143638866
ethane;3-methyl-1H-indene
CID 90920725
3-(2-cyclopropylethyl)-1H-indene
CID 163857034
3H-indene-1-sulfinic acid
CID 67326811
2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
CID 20693123
[2-(3H-inden-1-yl)-2-propyl-1,3-dihydroinden-1-yl] acetate
CID 20693124
ethane;1-(3H-inden-1-yl)ethanol;methane
CID 159608364
3H-inden-1-ol;tris(propan-2-ol);titanium
CID 10338320
3-(chloromethyl)-1H-indene
CID 55301076

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene?
The IUPAC name of 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene (CID 101422795) is 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene.
What is the SMILES notation for 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene?
The canonical SMILES for 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene is C1=C(C2(C3=CCc4ccccc43)C3CCC2CC3)c2ccccc2C1.
What is the InChIKey of 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene?
The InChIKey is KVKDKGFVAJDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-3-7-21-17(5-1)9-15-23(21)25(19-11-12-20(25)14-13-19)24-16-10-18-6-2-4-8-22(18)24/h1-8,15-16,19-20H,9-14H2.
What are the key properties of 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene?
3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene has a molecular weight of 324.47 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3H-inden-1-yl)-7-bicyclo[2.2.1]heptanyl]-1H-indene is sourced from PubChem (CID 101422795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).