2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene

C60H70 — CID 58986915

About 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene

2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene (PubChem CID 58986915) has the molecular formula C60H70 and a molecular weight of 791.22 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
• PubChem CID: 58986915
• Molecular Formula: C60H70
• Molecular Weight: 791.22 g/mol
• Exact Mass: 790.55
• IUPAC Name: 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
• SMILES: Cc1cc(-c2ccc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)c(C)c2)ccc1-c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2(C)C
• InChI: InChI=1S/C60H70/c1-35-27-37(19-23-43(35)47-29-41(57(9,10)11)33-51-53(47)45-25-21-39(55(3,4)5)31-49(45)59(51,15)16)38-20-24-44(36(2)28-38)48-30-42(58(12,13)14)34-52-54(48)46-26-22-40(56(6,7)8)32-50(46)60(52,17)18/h19-34H,1-18H3
• InChIKey: JLPRNRQONBYBJP-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.22
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene?

The IUPAC name of 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene (CID 58986915) is 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene.

What is the SMILES notation for 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene?

The canonical SMILES for 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene is Cc1cc(-c2ccc(-c3cc(C(C)(C)C)cc4c3-c3ccc(C(C)(C)C)cc3C4(C)C)c(C)c2)ccc1-c1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2(C)C.

What is the InChIKey of 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene?

The InChIKey is JLPRNRQONBYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H70/c1-35-27-37(19-23-43(35)47-29-41(57(9,10)11)33-51-53(47)45-25-21-39(55(3,4)5)31-49(45)59(51,15)16)38-20-24-44(36(2)28-38)48-30-42(58(12,13)14)34-52-54(48)46-26-22-40(56(6,7)8)32-50(46)60(52,17)18/h19-34H,1-18H3.

What are the key properties of 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene?

2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene has a molecular weight of 791.22 g/mol, XLogP of 17.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).