N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine

C70H51N — CID 126548483

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (PubChem CID 126548483) has the molecular formula C70H51N and a molecular weight of 906.19 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
• PubChem CID: 126548483
• Molecular Formula: C70H51N
• Molecular Weight: 906.19 g/mol
• Exact Mass: 905.40
• IUPAC Name: N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C70H51N/c1-69(2)63-30-17-15-28-60(63)61-43-38-52(47-66(61)69)50-34-39-58(40-35-50)71(59-41-36-51(37-42-59)55-45-53(48-20-7-3-8-21-48)44-54(46-55)49-22-9-4-10-23-49)67-33-19-32-65-68(67)62-29-16-18-31-64(62)70(65,56-24-11-5-12-25-56)57-26-13-6-14-27-57/h3-47H,1-2H3
• InChIKey: OARCJVRMCWHZOX-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	906.19
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine (CID 126548483) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?

The InChIKey is OARCJVRMCWHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H51N/c1-69(2)63-30-17-15-28-60(63)61-43-38-52(47-66(61)69)50-34-39-58(40-35-50)71(59-41-36-51(37-42-59)55-45-53(48-20-7-3-8-21-48)44-54(46-55)49-22-9-4-10-23-49)67-33-19-32-65-68(67)62-29-16-18-31-64(62)70(65,56-24-11-5-12-25-56)57-26-13-6-14-27-57/h3-47H,1-2H3.

What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine?

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine has a molecular weight of 906.19 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 126548483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).