N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

C51H49N — CID 170291586

About N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine

N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170291586) has the molecular formula C51H49N and a molecular weight of 675.96 g/mol. Its IUPAC name is N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 170291586
• Molecular Formula: C51H49N
• Molecular Weight: 675.96 g/mol
• Exact Mass: 675.39
• IUPAC Name: N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
• SMILES: CC(C)(C)c1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C51H49N/c1-49(2,3)36-30-37(50(4,5)6)32-39(31-36)52(38-28-29-42-41-22-12-14-26-45(41)51(7,8)46(42)33-38)47-27-15-13-23-43(47)44-25-17-21-35-20-16-24-40(48(35)44)34-18-10-9-11-19-34/h9-33H,1-8H3
• InChIKey: RCPWAJHNECTJOR-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.96
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170291586) is N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is CC(C)(C)c1cc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?

The InChIKey is RCPWAJHNECTJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N/c1-49(2,3)36-30-37(50(4,5)6)32-39(31-36)52(38-28-29-42-41-22-12-14-26-45(41)51(7,8)46(42)33-38)47-27-15-13-23-43(47)44-25-17-21-35-20-16-24-40(48(35)44)34-18-10-9-11-19-34/h9-33H,1-8H3.

What are the key properties of N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine?

N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 675.96 g/mol, XLogP of 14.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170291586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).