N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

C70H51N — CID 168790005

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 168790005) has the molecular formula C70H51N and a molecular weight of 906.19 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
• PubChem CID: 168790005
• Molecular Formula: C70H51N
• Molecular Weight: 906.19 g/mol
• Exact Mass: 905.40
• IUPAC Name: N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)ccc21
• InChI: InChI=1S/C70H51N/c1-69(2)61-36-19-17-32-57(61)60-47-51(43-46-62(60)69)48-41-44-54(45-42-48)71(65-39-21-35-56(50-25-9-4-10-26-50)67(65)58-33-16-15-31-55(58)49-23-7-3-8-24-49)66-40-22-38-64-68(66)59-34-18-20-37-63(59)70(64,52-27-11-5-12-28-52)53-29-13-6-14-30-53/h3-47H,1-2H3
• InChIKey: WEYVPSQAZBGHOP-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-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?

The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (CID 168790005) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.

What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?

The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)ccc21.

What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?

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

What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-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-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 168790005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).