N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

C70H49NO — CID 168840177

About N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168840177) has the molecular formula C70H49NO and a molecular weight of 920.17 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
• PubChem CID: 168840177
• Molecular Formula: C70H49NO
• Molecular Weight: 920.17 g/mol
• Exact Mass: 919.38
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc21
• InChI: InChI=1S/C70H49NO/c1-69(2)62-27-12-9-23-57(62)59-41-40-55(45-65(59)69)71(53-38-35-48(36-39-53)56-26-16-30-67-68(56)60-25-11-14-29-66(60)72-67)54-22-15-17-49(43-54)46-31-33-47(34-32-46)50-37-42-64-61(44-50)58-24-10-13-28-63(58)70(64,51-18-5-3-6-19-51)52-20-7-4-8-21-52/h3-45H,1-2H3
• InChIKey: SWAMPZAMIYJOSF-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-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine (CID 168840177) is N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc21.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

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

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-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-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168840177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).