N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

C72H47NO — CID 170675579

About N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 170675579) has the molecular formula C72H47NO and a molecular weight of 942.17 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
• PubChem CID: 170675579
• Molecular Formula: C72H47NO
• Molecular Weight: 942.17 g/mol
• Exact Mass: 941.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5c6ccccc6ccc5c4c3-c3cccc(-c4cccc5ccccc45)c3)cc21
• InChI: InChI=1S/C72H47NO/c1-71(2)60-29-11-7-24-53(60)57-37-34-48(42-64(57)71)73(49-35-38-58-56-27-10-14-32-63(56)72(65(58)43-49)61-30-12-8-25-54(61)55-26-9-13-31-62(55)72)66-39-40-67-69(59-36-33-45-18-4-6-23-52(45)70(59)74-67)68(66)47-21-15-20-46(41-47)51-28-16-19-44-17-3-5-22-50(44)51/h3-43H,1-2H3
• InChIKey: KVUYZMDCXRLNPS-UHFFFAOYSA-N
• XLogP: 19.35
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.17
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (CID 170675579) is N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4oc5c6ccccc6ccc5c4c3-c3cccc(-c4cccc5ccccc45)c3)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?

The InChIKey is KVUYZMDCXRLNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47NO/c1-71(2)60-29-11-7-24-53(60)57-37-34-48(42-64(57)71)73(49-35-38-58-56-27-10-14-32-63(56)72(65(58)43-49)61-30-12-8-25-54(61)55-26-9-13-31-62(55)72)66-39-40-67-69(59-36-33-45-18-4-6-23-52(45)70(59)74-67)68(66)47-21-15-20-46(41-47)51-28-16-19-44-17-3-5-22-50(44)51/h3-43H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?

N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 942.17 g/mol, XLogP of 19.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-7-(3-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 170675579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).