2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene

C166H156 — CID 158261275

About 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene

2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene (PubChem CID 158261275) has the molecular formula C166H156 and a molecular weight of 2151.07 g/mol. Its IUPAC name is 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene.

Molecular Properties

• Compound Name: 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
• PubChem CID: 158261275
• Molecular Formula: C166H156
• Molecular Weight: 2151.07 g/mol
• Exact Mass: 2149.22
• IUPAC Name: 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene
• SMILES: CC(C)(C)c1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CC(C)(C)c1ccc2c(ccc3c4ccccc4ccc23)c1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C34H30.C28H26.C26H22.C22H20.C22H22.C18H18.C16H18/c1-34(2,3)33-20-10-19-32(24-33)31-18-9-17-30(23-31)29-16-8-15-28(22-29)27-14-7-13-26(21-27)25-11-5-4-6-12-25;1-28(2,3)27-17-9-16-26(20-27)25-15-8-14-24(19-25)23-13-7-12-22(18-23)21-10-5-4-6-11-21;1-26(2,3)19-10-13-21-18(16-19)9-12-25-23(21)15-14-22-20-7-5-4-6-17(20)8-11-24(22)25;1-22(2,3)17-10-13-19-16(14-17)9-12-20-18-7-5-4-6-15(18)8-11-21(19)20;1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-24H,1-3H3;4-20H,1-3H3;4-16H,1-3H3;4-14H,1-3H3;4-16H,1-3H3;4-12H,1-3H3;4-12H,1-3H3
• InChIKey: GHWZNSJJXGIULX-UHFFFAOYSA-N
• XLogP: 47.94
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2151.07
LogP ≤ 5	47.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene?

The IUPAC name of 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene (CID 158261275) is 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene.

What is the SMILES notation for 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene?

The canonical SMILES for 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene is CC(C)(C)c1ccc2c(ccc3c2ccc2c4ccccc4ccc23)c1.CC(C)(C)c1ccc2c(ccc3c4ccccc4ccc23)c1.CC(C)(C)c1ccc2c(ccc3ccccc32)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)c1.CC(C)(C)c1cccc(-c2cccc(-c3ccccc3)c2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1.

What is the InChIKey of 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene?

The InChIKey is GHWZNSJJXGIULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30.C28H26.C26H22.C22H20.C22H22.C18H18.C16H18/c1-34(2,3)33-20-10-19-32(24-33)31-18-9-17-30(23-31)29-16-8-15-28(22-29)27-14-7-13-26(21-27)25-11-5-4-6-12-25;1-28(2,3)27-17-9-16-26(20-27)25-15-8-14-24(19-25)23-13-7-12-22(18-23)21-10-5-4-6-11-21;1-26(2,3)19-10-13-21-18(16-19)9-12-25-23(21)15-14-22-20-7-5-4-6-17(20)8-11-24(22)25;1-22(2,3)17-10-13-19-16(14-17)9-12-20-18-7-5-4-6-15(18)8-11-21(19)20;1-22(2,3)21-14-8-13-20(16-21)19-12-7-11-18(15-19)17-9-5-4-6-10-17;1-18(2,3)15-10-11-17-14(12-15)9-8-13-6-4-5-7-16(13)17;1-16(2,3)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-24H,1-3H3;4-20H,1-3H3;4-16H,1-3H3;4-14H,1-3H3;4-16H,1-3H3;4-12H,1-3H3;4-12H,1-3H3.

What are the key properties of 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene?

2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene has a molecular weight of 2151.07 g/mol, XLogP of 47.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylchrysene;2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;3-tert-butylpicene is sourced from PubChem (CID 158261275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).