tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane

C221H240 — CID 158203543

About tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane

tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane (PubChem CID 158203543) has the molecular formula C221H240 and a molecular weight of 2896.35 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane.

Molecular Properties

• Compound Name: tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
• PubChem CID: 158203543
• Molecular Formula: C221H240
• Molecular Weight: 2896.35 g/mol
• Exact Mass: 2893.88
• IUPAC Name: tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane
• SMILES: CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccccc12.CC(C)(C)c1cc2ccccc2c2ccccc12.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1ccc2ccc3ccccc3c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CCC(C)(C)C
• InChI: InChI=1S/C30H26.2C28H24.C24H22.3C18H18.2C14H16.C10H14.C8H18.C6H14.C5H12/c1-30(2,3)29-26-15-9-7-13-24(26)28(25-14-8-10-16-27(25)29)23-19-17-22(18-20-23)21-11-5-4-6-12-21;1-28(2,3)27-24-16-8-6-14-22(24)26(23-15-7-9-17-25(23)27)21-18-10-12-19-11-4-5-13-20(19)21;1-28(2,3)27-24-14-8-6-12-22(24)26(23-13-7-9-15-25(23)27)21-17-16-19-10-4-5-11-20(19)18-21;1-24(2,3)23-20-15-9-7-13-18(20)22(17-11-5-4-6-12-17)19-14-8-10-16-21(19)23;1-18(2,3)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-18(2,3)15-11-10-14-9-8-13-6-4-5-7-16(13)17(14)12-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)8(4,5)6;1-5-6(2,3)4;1-5(2,3)4/h4-20H,1-3H3;2*4-18H,1-3H3;4-16H,1-3H3;3*4-12H,1-3H3;2*4-10H,1-3H3;4-8H,1-3H3;1-6H3;5H2,1-4H3;1-4H3
• InChIKey: GBFLKQNSSWKART-UHFFFAOYSA-N
• XLogP: 66.51
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2896.35
LogP ≤ 5	66.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?

The IUPAC name of tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane (CID 158203543) is tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane.

What is the SMILES notation for tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?

The canonical SMILES for tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane is CC(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.CC(C)(C)c1c2ccccc2c(-c2ccccc2)c2ccccc12.CC(C)(C)c1cc2ccccc2c2ccccc12.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1ccc2ccc3ccccc3c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CCC(C)(C)C.

What is the InChIKey of tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?

The InChIKey is GBFLKQNSSWKART-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26.2C28H24.C24H22.3C18H18.2C14H16.C10H14.C8H18.C6H14.C5H12/c1-30(2,3)29-26-15-9-7-13-24(26)28(25-14-8-10-16-27(25)29)23-19-17-22(18-20-23)21-11-5-4-6-12-21;1-28(2,3)27-24-16-8-6-14-22(24)26(23-15-7-9-17-25(23)27)21-18-10-12-19-11-4-5-13-20(19)21;1-28(2,3)27-24-14-8-6-12-22(24)26(23-13-7-9-15-25(23)27)21-17-16-19-10-4-5-11-20(19)18-21;1-24(2,3)23-20-15-9-7-13-18(20)22(17-11-5-4-6-12-17)19-14-8-10-16-21(19)23;1-18(2,3)17-12-13-8-4-5-9-14(13)15-10-6-7-11-16(15)17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-18(2,3)15-11-10-14-9-8-13-6-4-5-7-16(13)17(14)12-15;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-7(2,3)8(4,5)6;1-5-6(2,3)4;1-5(2,3)4/h4-20H,1-3H3;2*4-18H,1-3H3;4-16H,1-3H3;3*4-12H,1-3H3;2*4-10H,1-3H3;4-8H,1-3H3;1-6H3;5H2,1-4H3;1-4H3.

What are the key properties of tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane?

tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane has a molecular weight of 2896.35 g/mol, XLogP of 66.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;9-tert-butyl-10-naphthalen-1-ylanthracene;9-tert-butyl-10-naphthalen-2-ylanthracene;2-tert-butylphenanthrene;3-tert-butylphenanthrene;9-tert-butylphenanthrene;9-tert-butyl-10-phenylanthracene;9-tert-butyl-10-(4-phenylphenyl)anthracene;2,2-dimethylbutane;2,2-dimethylpropane;2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158203543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).