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

C62H45N — CID 139384265

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

2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 139384265) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 139384265
• Molecular Formula: C62H45N
• Molecular Weight: 804.05 g/mol
• Exact Mass: 803.36
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3N(c3ccc(-c4ccccc4)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C62H45N/c1-61(2)54-28-14-11-25-50(54)53-40-36-45(41-58(53)61)49-39-35-44-21-9-10-24-48(44)60(49)63(47-37-33-43(34-38-47)42-19-5-3-6-20-42)59-32-18-17-31-57(59)62(46-22-7-4-8-23-46)55-29-15-12-26-51(55)52-27-13-16-30-56(52)62/h3-41H,1-2H3
• InChIKey: QMWJIYWMJGYUTG-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.05
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 139384265) is 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

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

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3N(c3ccc(-c4ccccc4)cc3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.

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

The InChIKey is QMWJIYWMJGYUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-61(2)54-28-14-11-25-50(54)53-40-36-45(41-58(53)61)49-39-35-44-21-9-10-24-48(44)60(49)63(47-37-33-43(34-38-47)42-19-5-3-6-20-42)59-32-18-17-31-57(59)62(46-22-7-4-8-23-46)55-29-15-12-26-51(55)52-27-13-16-30-56(52)62/h3-41H,1-2H3.

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

2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 804.05 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 139384265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).