2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene

C31H40 — CID 139962800

IUPAC2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCCCCCC1=Cc2ccccc2C1C(C)(C)C1C(CCCCC)=Cc2ccccc21
InChIInChI=1S/C31H40/c1-5-7-9-17-25-21-23-15-11-13-19-27(23)29(25)31(3,4)30-26(18-10-8-6-2)22-24-16-12-14-20-28(24)30/h11-16,19-22,29-30H,5-10,17-18H2,1-4H3
InChIKeyHYORAYINPJBYAO-UHFFFAOYSA-N
MW412.66 g/mol
LogP9.53
Rot. Bonds10

About 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene

2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene (PubChem CID 139962800) has the molecular formula C31H40 and a molecular weight of 412.66 g/mol. Its IUPAC name is 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
PubChem CID139962800
Molecular FormulaC31H40
Molecular Weight412.66 g/mol
Exact Mass412.31
IUPAC Name2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCCCCCC1=Cc2ccccc2C1C(C)(C)C1C(CCCCC)=Cc2ccccc21
InChIInChI=1S/C31H40/c1-5-7-9-17-25-21-23-15-11-13-19-27(23)29(25)31(3,4)30-26(18-10-8-6-2)22-24-16-12-14-20-28(24)30/h11-16,19-22,29-30H,5-10,17-18H2,1-4H3
InChIKeyHYORAYINPJBYAO-UHFFFAOYSA-N
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
CID 139962779
2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
CID 139962852
4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
CID 139962705
2-(4-phenylbutyl)-1-propyl-1H-indene
CID 58673845
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
CID 139962811
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride
CID 173337807
dimethyl-bis(2-propyl-1H-inden-1-yl)silane
CID 154141035
2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
CID 139962907
1-(decylamino)-1H-inden-2-ol
CID 151837661

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The IUPAC name of 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene (CID 139962800) is 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene is CCCCCC1=Cc2ccccc2C1C(C)(C)C1C(CCCCC)=Cc2ccccc21.
What is the InChIKey of 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The InChIKey is HYORAYINPJBYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40/c1-5-7-9-17-25-21-23-15-11-13-19-27(23)29(25)31(3,4)30-26(18-10-8-6-2)22-24-16-12-14-20-28(24)30/h11-16,19-22,29-30H,5-10,17-18H2,1-4H3.
What are the key properties of 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene has a molecular weight of 412.66 g/mol, XLogP of 9.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 139962800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).