2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine

C69H61NO — CID 176821721

About 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine

2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine (PubChem CID 176821721) has the molecular formula C69H61NO and a molecular weight of 920.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
• PubChem CID: 176821721
• Molecular Formula: C69H61NO
• Molecular Weight: 920.25 g/mol
• Exact Mass: 919.48
• IUPAC Name: 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1cccc(N(c2ccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1C4(C)C
• InChI: InChI=1S/C69H61NO/c1-65(2,3)44-37-54-53-40-52-51-26-20-30-61(63(51)68(9,10)59(52)41-62(53)71-64(54)60(38-44)66(4,5)6)70(46-35-36-50-47-23-14-17-27-55(47)67(7,8)58(50)39-46)45-33-31-43(32-34-45)69(42-21-12-11-13-22-42)56-28-18-15-24-48(56)49-25-16-19-29-57(49)69/h11-41H,1-10H3
• InChIKey: VYTXCLCWBJXCBP-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.25
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine?

The IUPAC name of 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine (CID 176821721) is 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine.

What is the SMILES notation for 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine?

The canonical SMILES for 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3cc4c(cc3c2c1)-c1cccc(N(c2ccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1C4(C)C.

What is the InChIKey of 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine?

The InChIKey is VYTXCLCWBJXCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H61NO/c1-65(2,3)44-37-54-53-40-52-51-26-20-30-61(63(51)68(9,10)59(52)41-62(53)71-64(54)60(38-44)66(4,5)6)70(46-35-36-50-47-23-14-17-27-55(47)67(7,8)58(50)39-46)45-33-31-43(32-34-45)69(42-21-12-11-13-22-42)56-28-18-15-24-48(56)49-25-16-19-29-57(49)69/h11-41H,1-10H3.

What are the key properties of 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine?

2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine has a molecular weight of 920.25 g/mol, XLogP of 18.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoreno[7,6-b][1]benzofuran-8-amine is sourced from PubChem (CID 176821721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).