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

C73H59N — CID 168802239

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

N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine (PubChem CID 168802239) has the molecular formula C73H59N and a molecular weight of 950.28 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine.

Molecular Properties

• Compound Name: N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
• PubChem CID: 168802239
• Molecular Formula: C73H59N
• Molecular Weight: 950.28 g/mol
• Exact Mass: 949.46
• IUPAC Name: N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)c3ccc4ccccc4c3-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C73H59N/c1-71(2,3)54-37-33-51(34-38-54)58-42-39-56(46-63(58)49-19-9-7-10-20-49)74(57-40-43-67-64(47-57)61-26-16-18-28-66(61)73(67,6)55-22-11-8-12-23-55)69-44-36-50-21-13-14-24-59(50)70(69)52-31-29-48(30-32-52)53-35-41-62-60-25-15-17-27-65(60)72(4,5)68(62)45-53/h7-47H,1-6H3
• InChIKey: SKGAVWUXXNJTDR-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.28
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine (CID 168802239) is N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine.

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

The canonical SMILES for N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)c3ccccc3)c3ccc4ccccc4c3-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2-c2ccccc2)cc1.

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

The InChIKey is SKGAVWUXXNJTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H59N/c1-71(2,3)54-37-33-51(34-38-54)58-42-39-56(46-63(58)49-19-9-7-10-20-49)74(57-40-43-67-64(47-57)61-26-16-18-28-66(61)73(67,6)55-22-11-8-12-23-55)69-44-36-50-21-13-14-24-59(50)70(69)52-31-29-48(30-32-52)53-35-41-62-60-25-15-17-27-65(60)72(4,5)68(62)45-53/h7-47H,1-6H3.

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

N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine has a molecular weight of 950.28 g/mol, XLogP of 19.92, 8 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)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine is sourced from PubChem (CID 168802239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).