9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

C45H43N — CID 170445032

About 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170445032) has the molecular formula C45H43N and a molecular weight of 597.85 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170445032
• Molecular Formula: C45H43N
• Molecular Weight: 597.85 g/mol
• Exact Mass: 597.34
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5ccccc35)C(C)(C)c3ccccc3-4)ccc21
• InChI: InChI=1S/C45H43N/c1-43(2)25-26-44(3,4)40-27-31(23-24-38(40)43)35-28-36-34-20-12-13-21-37(34)45(5,6)39(36)29-42(35)46(32-17-8-7-9-18-32)41-22-14-16-30-15-10-11-19-33(30)41/h7-24,27-29H,25-26H2,1-6H3
• InChIKey: GJHAPYXAIPMHGT-UHFFFAOYSA-N
• XLogP: 12.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.85
LogP ≤ 5	12.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine (CID 170445032) is 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5ccccc35)C(C)(C)c3ccccc3-4)ccc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

The InChIKey is GJHAPYXAIPMHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43N/c1-43(2)25-26-44(3,4)40-27-31(23-24-38(40)43)35-28-36-34-20-12-13-21-37(34)45(5,6)39(36)29-42(35)46(32-17-8-7-9-18-32)41-22-14-16-30-15-10-11-19-33(30)41/h7-24,27-29H,25-26H2,1-6H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 597.85 g/mol, XLogP of 12.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170445032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).