N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine

C60H45NO — CID 168839606

About N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168839606) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 168839606
• Molecular Formula: C60H45NO
• Molecular Weight: 796.03 g/mol
• Exact Mass: 795.35
• IUPAC Name: N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccc(-c3cccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2-c2ccc(-c3ccccc3)cc21
• InChI: InChI=1S/C60H45NO/c1-59(2)53-25-10-8-21-47(53)48-31-29-45(37-56(48)59)61(44-20-13-18-42(34-44)46-23-14-24-51-50-22-9-11-26-57(50)62-58(46)51)43-19-12-17-39(33-43)40-28-32-54-52(35-40)49-30-27-41(36-55(49)60(54,3)4)38-15-6-5-7-16-38/h5-37H,1-4H3
• InChIKey: SZPREJNXCRNQPI-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.03
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168839606) is N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccc(-c3cccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2-c2ccc(-c3ccccc3)cc21.

What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?

The InChIKey is SZPREJNXCRNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)53-25-10-8-21-47(53)48-31-29-45(37-56(48)59)61(44-20-13-18-42(34-44)46-23-14-24-51-50-22-9-11-26-57(50)62-58(46)51)43-19-12-17-39(33-43)40-28-32-54-52(35-40)49-30-27-41(36-55(49)60(54,3)4)38-15-6-5-7-16-38/h5-37H,1-4H3.

What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?

N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 796.03 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168839606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).