9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine

C62H47N — CID 168802247

About 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine

9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine (PubChem CID 168802247) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
• PubChem CID: 168802247
• Molecular Formula: C62H47N
• Molecular Weight: 806.07 g/mol
• Exact Mass: 805.37
• IUPAC Name: 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3-c3ccccc3)ccc21
• InChI: InChI=1S/C62H47N/c1-61(2)57-34-20-19-32-54(57)56-43-51(40-41-58(56)61)63(59-42-35-45-23-15-16-31-53(45)60(59)55-33-18-17-30-52(55)44-21-7-3-8-22-44)50-38-36-49(37-39-50)62(46-24-9-4-10-25-46,47-26-11-5-12-27-47)48-28-13-6-14-29-48/h3-43H,1-2H3
• InChIKey: SFQYSWLUTPRQLD-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.07
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine (CID 168802247) is 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3-c3ccccc3)ccc21.

What is the InChIKey of 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine?

The InChIKey is SFQYSWLUTPRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-61(2)57-34-20-19-32-54(57)56-43-51(40-41-58(56)61)63(59-42-35-45-23-15-16-31-53(45)60(59)55-33-18-17-30-52(55)44-21-7-3-8-22-44)50-38-36-49(37-39-50)62(46-24-9-4-10-25-46,47-26-11-5-12-27-47)48-28-13-6-14-29-48/h3-43H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine?

9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine has a molecular weight of 806.07 g/mol, XLogP of 16.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine is sourced from PubChem (CID 168802247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).