N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine

C59H51N — CID 130203835

About N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine

N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 130203835) has the molecular formula C59H51N and a molecular weight of 774.06 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
• PubChem CID: 130203835
• Molecular Formula: C59H51N
• Molecular Weight: 774.06 g/mol
• Exact Mass: 773.40
• IUPAC Name: N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccccc3)cc21
• InChI: InChI=1S/C59H51N/c1-58(2)54-18-10-8-17-51(54)52-28-27-49(35-55(52)58)60(56-19-11-9-16-50(56)47-21-20-42-12-6-7-15-45(42)33-47)57-29-24-46(34-53(57)44-13-4-3-5-14-44)43-22-25-48(26-23-43)59-36-39-30-40(37-59)32-41(31-39)38-59/h3-29,33-35,39-41H,30-32,36-38H2,1-2H3
• InChIKey: BBEFSAAGQCGOHX-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.06
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine (CID 130203835) is N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3-c3ccccc3)cc21.

What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?

The InChIKey is BBEFSAAGQCGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N/c1-58(2)54-18-10-8-17-51(54)52-28-27-49(35-55(52)58)60(56-19-11-9-16-50(56)47-21-20-42-12-6-7-15-45(42)33-47)57-29-24-46(34-53(57)44-13-4-3-5-14-44)43-22-25-48(26-23-43)59-36-39-30-40(37-59)32-41(31-39)38-59/h3-29,33-35,39-41H,30-32,36-38H2,1-2H3.

What are the key properties of N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine?

N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 774.06 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-adamantyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 130203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).