N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine

C47H43NO — CID 170445122

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

N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine (PubChem CID 170445122) has the molecular formula C47H43NO and a molecular weight of 637.87 g/mol. Its IUPAC name is N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine
• PubChem CID: 170445122
• Molecular Formula: C47H43NO
• Molecular Weight: 637.87 g/mol
• Exact Mass: 637.33
• IUPAC Name: N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5oc6ccccc6c35)C(C)(C)c3ccccc3-4)ccc21
• InChI: InChI=1S/C47H43NO/c1-45(2)25-26-46(3,4)39-27-30(23-24-37(39)45)34-28-35-32-17-10-12-19-36(32)47(5,6)38(35)29-41(34)48(31-15-8-7-9-16-31)40-20-14-22-43-44(40)33-18-11-13-21-42(33)49-43/h7-24,27-29H,25-26H2,1-6H3
• InChIKey: UPKLNHROKVZJAN-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.87
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine (CID 170445122) is N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine.

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

The canonical SMILES for N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine is CC1(C)CCC(C)(C)c2cc(-c3cc4c(cc3N(c3ccccc3)c3cccc5oc6ccccc6c35)C(C)(C)c3ccccc3-4)ccc21.

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

The InChIKey is UPKLNHROKVZJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43NO/c1-45(2)25-26-46(3,4)39-27-30(23-24-37(39)45)34-28-35-32-17-10-12-19-36(32)47(5,6)38(35)29-41(34)48(31-15-8-7-9-16-31)40-20-14-22-43-44(40)33-18-11-13-21-42(33)49-43/h7-24,27-29H,25-26H2,1-6H3.

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

N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine has a molecular weight of 637.87 g/mol, XLogP of 13.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-yl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 170445122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).