2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine

C75H65NO — CID 154955026

About 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine

2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine (PubChem CID 154955026) has the molecular formula C75H65NO and a molecular weight of 996.35 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
• PubChem CID: 154955026
• Molecular Formula: C75H65NO
• Molecular Weight: 996.35 g/mol
• Exact Mass: 995.51
• IUPAC Name: 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1cc(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2
• InChI: InChI=1S/C75H65NO/c1-71(2,3)49-35-38-60-65(41-49)75(47-21-12-11-13-22-47,48-33-31-46(32-34-48)53-26-20-27-59-58-25-16-19-30-68(58)77-70(53)59)66-42-50(72(4,5)6)43-67(69(60)66)76(51-36-39-56-54-23-14-17-28-61(54)73(7,8)63(56)44-51)52-37-40-57-55-24-15-18-29-62(55)74(9,10)64(57)45-52/h11-45H,1-10H3
• InChIKey: TWYYGFGGCYFTLH-UHFFFAOYSA-N
• XLogP: 20.29
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.35
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine?

The IUPAC name of 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine (CID 154955026) is 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine.

What is the SMILES notation for 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine?

The canonical SMILES for 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine is CC(C)(C)c1ccc2c(c1)C(c1ccccc1)(c1ccc(-c3cccc4c3oc3ccccc34)cc1)c1cc(C(C)(C)C)cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c1-2.

What is the InChIKey of 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine?

The InChIKey is TWYYGFGGCYFTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H65NO/c1-71(2,3)49-35-38-60-65(41-49)75(47-21-12-11-13-22-47,48-33-31-46(32-34-48)53-26-20-27-59-58-25-16-19-30-68(58)77-70(53)59)66-42-50(72(4,5)6)43-67(69(60)66)76(51-36-39-56-54-23-14-17-28-61(54)73(7,8)63(56)44-51)52-37-40-57-55-24-15-18-29-62(55)74(9,10)64(57)45-52/h11-45H,1-10H3.

What are the key properties of 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine?

2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine has a molecular weight of 996.35 g/mol, XLogP of 20.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine is sourced from PubChem (CID 154955026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).