bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))

C113H154Zr3 — CID 162274185

About bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))

bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)) (PubChem CID 162274185) has the molecular formula C113H154Zr3 and a molecular weight of 1786.15 g/mol. Its IUPAC name is bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)).

Molecular Properties

• Compound Name: bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))
• PubChem CID: 162274185
• Molecular Formula: C113H154Zr3
• Molecular Weight: 1786.15 g/mol
• Exact Mass: 1780.92
• IUPAC Name: bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))
• SMILES: C1=CC2CCC(CCc3ccccc3)C2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C=CCC1CCC2C=CC=CC21.C=CCCC1CCCC1.CCCCC1CCCC1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4]
• InChI: InChI=1S/C17H20.C12H16.2C9H12.C9H18.C9H16.6C7H7.6CH3.3Zr/c1-2-6-14(7-3-1)10-11-16-13-12-15-8-4-5-9-17(15)16;1-2-5-10-8-9-11-6-3-4-7-12(10)11;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-3-6-9-7-4-5-8-9;6*1-7-5-3-2-4-6-7;;;;;;;;;/h1-9,15-17H,10-13H2;2-4,6-7,10-12H,1,5,8-9H2;2*1-2,4-5,8-9H,3,6-7H2;9H,2-8H2,1H3;2,9H,1,3-8H2;6*2-6H,1H2;6*1H3;;;/q;;;;;;12*-1;3*+4
• InChIKey: LCBRBSRHTWVBDJ-UHFFFAOYSA-N
• XLogP: 33.19
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1786.15
LogP ≤ 5	33.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))?

The IUPAC name of bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)) (CID 162274185) is bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)).

What is the SMILES notation for bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))?

The canonical SMILES for bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)) is C1=CC2CCC(CCc3ccccc3)C2C=C1.C1=CC2CCCC2C=C1.C1=CC2CCCC2C=C1.C=CCC1CCC2C=CC=CC21.C=CCCC1CCCC1.CCCCC1CCCC1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].

What is the InChIKey of bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))?

The InChIKey is LCBRBSRHTWVBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.C12H16.2C9H12.C9H18.C9H16.6C7H7.6CH3.3Zr/c1-2-6-14(7-3-1)10-11-16-13-12-15-8-4-5-9-17(15)16;1-2-5-10-8-9-11-6-3-4-7-12(10)11;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-3-6-9-7-4-5-8-9;6*1-7-5-3-2-4-6-7;;;;;;;;;/h1-9,15-17H,10-13H2;2-4,6-7,10-12H,1,5,8-9H2;2*1-2,4-5,8-9H,3,6-7H2;9H,2-8H2,1H3;2,9H,1,3-8H2;6*2-6H,1H2;6*1H3;;;/q;;;;;;12*-1;3*+4.

What are the key properties of bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+))?

bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)) has a molecular weight of 1786.15 g/mol, XLogP of 33.19, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3,3a,7a-tetrahydro-1H-indene);but-3-enylcyclopentane;butylcyclopentane;carbanide;methanidylbenzene;1-(2-phenylethyl)-2,3,3a,7a-tetrahydro-1H-indene;1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;tris(zirconium(4+)) is sourced from PubChem (CID 162274185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).