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

C70H49NO — CID 168839779

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

N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine (PubChem CID 168839779) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
• PubChem CID: 168839779
• Molecular Formula: C70H49NO
• Molecular Weight: 920.17 g/mol
• Exact Mass: 919.38
• IUPAC Name: N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cccc21
• InChI: InChI=1S/C70H49NO/c1-69(2)60-29-13-10-28-57(60)68-63(69)31-18-33-65(68)71(53-39-35-46(36-40-53)48-38-42-67-59(45-48)56-27-12-16-34-66(56)72-67)64-32-15-11-25-54(64)50-20-17-19-47(43-50)49-37-41-62-58(44-49)55-26-9-14-30-61(55)70(62,51-21-5-3-6-22-51)52-23-7-4-8-24-52/h3-45H,1-2H3
• InChIKey: NPMAQQWEAGGRSU-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.17
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine (CID 168839779) is N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine.

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

The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccccc3-c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cccc21.

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

The InChIKey is NPMAQQWEAGGRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NO/c1-69(2)60-29-13-10-28-57(60)68-63(69)31-18-33-65(68)71(53-39-35-46(36-40-53)48-38-42-67-59(45-48)56-27-12-16-34-66(56)72-67)64-32-15-11-25-54(64)50-20-17-19-47(43-50)49-37-41-62-58(44-49)55-26-9-14-30-61(55)70(62,51-21-5-3-6-22-51)52-23-7-4-8-24-52/h3-45H,1-2H3.

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

N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine has a molecular weight of 920.17 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine is sourced from PubChem (CID 168839779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).