N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

C78H61N — CID 168801942

About N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (PubChem CID 168801942) has the molecular formula C78H61N and a molecular weight of 1012.35 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• PubChem CID: 168801942
• Molecular Formula: C78H61N
• Molecular Weight: 1012.35 g/mol
• Exact Mass: 1011.48
• IUPAC Name: N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C78H61N/c1-76(2,3)56-44-40-52(41-45-56)55-43-48-72(66(50-55)53-24-9-6-10-25-53)79(59-46-47-70-67(51-59)62-33-19-22-38-69(62)78(70,57-27-11-7-12-28-57)58-29-13-8-14-30-58)73-49-42-54-26-15-16-31-60(54)75(73)64-34-18-17-32-61(64)63-36-23-39-71-74(63)65-35-20-21-37-68(65)77(71,4)5/h6-51H,1-5H3
• InChIKey: RIHYFEXQVBHZDT-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.35
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine (CID 168801942) is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine.

What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)c(-c3ccccc3)c2)cc1.

What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

The InChIKey is RIHYFEXQVBHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H61N/c1-76(2,3)56-44-40-52(41-45-56)55-43-48-72(66(50-55)53-24-9-6-10-25-53)79(59-46-47-70-67(51-59)62-33-19-22-38-69(62)78(70,57-27-11-7-12-28-57)58-29-13-8-14-30-58)73-49-42-54-26-15-16-31-60(54)75(73)64-34-18-17-32-61(64)63-36-23-39-71-74(63)65-35-20-21-37-68(65)77(71,4)5/h6-51H,1-5H3.

What are the key properties of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine?

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine has a molecular weight of 1012.35 g/mol, XLogP of 20.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 168801942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).