5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C64H71N — CID 174308725

About 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 174308725) has the molecular formula C64H71N and a molecular weight of 854.28 g/mol. Its IUPAC name is 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 174308725
• Molecular Formula: C64H71N
• Molecular Weight: 854.28 g/mol
• Exact Mass: 853.56
• IUPAC Name: 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cccc(C(C)(C)C)c2-3)cc1
• InChI: InChI=1S/C64H71N/c1-59(2,3)41-26-24-40(25-27-41)51-36-42(60(4,5)6)28-32-46(51)49-33-29-43(61(7,8)9)37-57(49)65(44-30-34-48-47-20-17-18-21-52(47)63(13,14)55(48)38-44)45-31-35-50-56(39-45)64(15,16)54-23-19-22-53(58(50)54)62(10,11)12/h17-39H,1-16H3
• InChIKey: RONLTBYBHPQKEV-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.28
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 174308725) is 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2cccc(C(C)(C)C)c2-3)cc1.

What is the InChIKey of 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is RONLTBYBHPQKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H71N/c1-59(2,3)41-26-24-40(25-27-41)51-36-42(60(4,5)6)28-32-46(51)49-33-29-43(61(7,8)9)37-57(49)65(44-30-34-48-47-20-17-18-21-52(47)63(13,14)55(48)38-44)45-31-35-50-56(39-45)64(15,16)54-23-19-22-53(58(50)54)62(10,11)12/h17-39H,1-16H3.

What are the key properties of 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 854.28 g/mol, XLogP of 18.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 174308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).