N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine

C66H55NO — CID 170448052

About N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine (PubChem CID 170448052) has the molecular formula C66H55NO and a molecular weight of 878.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
• PubChem CID: 170448052
• Molecular Formula: C66H55NO
• Molecular Weight: 878.17 g/mol
• Exact Mass: 877.43
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3cccc5c3oc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21
• InChI: InChI=1S/C66H55NO/c1-63(2)37-38-64(3,4)61-49(28-19-32-55(61)63)52-40-51-46-26-14-17-31-54(46)66(42-21-9-7-10-22-42,43-23-11-8-12-24-43)57(51)41-59(52)67(58-33-20-29-50-48-27-15-18-34-60(48)68-62(50)58)44-35-36-47-45-25-13-16-30-53(45)65(5,6)56(47)39-44/h7-36,39-41H,37-38H2,1-6H3
• InChIKey: SJRQNJQOALFZCM-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.17
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine (CID 170448052) is N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine is CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3cccc5c3oc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine?

The InChIKey is SJRQNJQOALFZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55NO/c1-63(2)37-38-64(3,4)61-49(28-19-32-55(61)63)52-40-51-46-26-14-17-31-54(46)66(42-21-9-7-10-22-42,43-23-11-8-12-24-43)57(51)41-59(52)67(58-33-20-29-50-48-27-15-18-34-60(48)68-62(50)58)44-35-36-47-45-25-13-16-30-53(45)65(5,6)56(47)39-44/h7-36,39-41H,37-38H2,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine has a molecular weight of 878.17 g/mol, XLogP of 17.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine is sourced from PubChem (CID 170448052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).