1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium

C116H150Y-2 — CID 164958307

About 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium

1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium (PubChem CID 164958307) has the molecular formula C116H150Y-2 and a molecular weight of 1633.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium.

Molecular Properties

• Compound Name: 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium
• PubChem CID: 164958307
• Molecular Formula: C116H150Y-2
• Molecular Weight: 1633.38 g/mol
• Exact Mass: 1632.08
• IUPAC Name: 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium
• SMILES: CC(C)(C)c1[c-]c(-c2[c-]cccc2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1.CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.CC(C)(C)c1cccc(-c2ccccc2C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.[Y]
• InChI: InChI=1S/3C20H26.C20H24.2C18H24.Y/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6;1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;1-19(2,3)16-11-9-10-15(14-16)17-12-7-8-13-18(17)20(4,5)6;1-19(2,3)17-12-16(15-10-8-7-9-11-15)13-18(14-17)20(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15;/h3*7-14H,1-6H3;7-10,12,14H,1-6H3;2*7-12H,1-6H3;/q;;;-2
• InChIKey: DTZLKPJIVSBRKA-UHFFFAOYSA-N
• XLogP: 34.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1633.38
LogP ≤ 5	34.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium?

The IUPAC name of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium (CID 164958307) is 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium.

What is the SMILES notation for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium?

The canonical SMILES for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium is CC(C)(C)c1[c-]c(-c2[c-]cccc2)cc(C(C)(C)C)c1.CC(C)(C)c1ccc2cc(C(C)(C)C)ccc2c1.CC(C)(C)c1ccc2ccc(C(C)(C)C)cc2c1.CC(C)(C)c1cccc(-c2cccc(C(C)(C)C)c2)c1.CC(C)(C)c1cccc(-c2ccccc2C(C)(C)C)c1.CC(C)(C)c1ccccc1-c1ccccc1C(C)(C)C.[Y].

What is the InChIKey of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium?

The InChIKey is DTZLKPJIVSBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H26.C20H24.2C18H24.Y/c1-19(2,3)17-11-7-9-15(13-17)16-10-8-12-18(14-16)20(4,5)6;1-19(2,3)17-13-9-7-11-15(17)16-12-8-10-14-18(16)20(4,5)6;1-19(2,3)16-11-9-10-15(14-16)17-12-7-8-13-18(17)20(4,5)6;1-19(2,3)17-12-16(15-10-8-7-9-11-15)13-18(14-17)20(4,5)6;1-17(2,3)15-9-7-14-12-16(18(4,5)6)10-8-13(14)11-15;1-17(2,3)15-9-7-13-8-10-16(18(4,5)6)12-14(13)11-15;/h3*7-14H,1-6H3;7-10,12,14H,1-6H3;2*7-12H,1-6H3;/q;;;-2;;;.

What are the key properties of 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium?

1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium has a molecular weight of 1633.38 g/mol, XLogP of 34.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-(2-tert-butylphenyl)benzene;1-tert-butyl-2-(3-tert-butylphenyl)benzene;1-tert-butyl-3-(3-tert-butylphenyl)benzene;2,6-ditert-butylnaphthalene;2,7-ditert-butylnaphthalene;1,3-ditert-butyl-5-phenylbenzene-6-ide;yttrium is sourced from PubChem (CID 164958307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).