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

C64H70 — CID 58986985

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

2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene (PubChem CID 58986985) has the molecular formula C64H70 and a molecular weight of 839.26 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
• PubChem CID: 58986985
• Molecular Formula: C64H70
• Molecular Weight: 839.26 g/mol
• Exact Mass: 838.55
• IUPAC Name: 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
• SMILES: CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(C(C)(C)C)cc7c6-c6ccc(C(C)(C)C)cc6C7(C)C)cc5)cc4)cc3)c1-2
• InChI: InChI=1S/C64H70/c1-59(2,3)45-29-31-49-53(35-45)63(13,14)55-37-47(61(7,8)9)33-51(57(49)55)43-25-21-41(22-26-43)39-17-19-40(20-18-39)42-23-27-44(28-24-42)52-34-48(62(10,11)12)38-56-58(52)50-32-30-46(60(4,5)6)36-54(50)64(56,15)16/h17-38H,1-16H3
• InChIKey: XTXFKZZQIAKNFR-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.26
LogP ≤ 5	18.16
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-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene?

The IUPAC name of 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene (CID 58986985) is 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene.

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

The canonical SMILES for 2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3ccc(-c4ccc(-c5ccc(-c6cc(C(C)(C)C)cc7c6-c6ccc(C(C)(C)C)cc6C7(C)C)cc5)cc4)cc3)c1-2.

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

The InChIKey is XTXFKZZQIAKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H70/c1-59(2,3)45-29-31-49-53(35-45)63(13,14)55-37-47(61(7,8)9)33-51(57(49)55)43-25-21-41(22-26-43)39-17-19-40(20-18-39)42-23-27-44(28-24-42)52-34-48(62(10,11)12)38-56-58(52)50-32-30-46(60(4,5)6)36-54(50)64(56,15)16/h17-38H,1-16H3.

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

2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene has a molecular weight of 839.26 g/mol, XLogP of 18.16, 4 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-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58986985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).