N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C73H53N — CID 137388127

About N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 137388127) has the molecular formula C73H53N and a molecular weight of 944.23 g/mol. Its IUPAC name is N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 137388127
• Molecular Formula: C73H53N
• Molecular Weight: 944.23 g/mol
• Exact Mass: 943.42
• IUPAC Name: N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• SMILES: Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c21
• InChI: InChI=1S/C73H53N/c1-46-33-37-59-60-38-34-47(2)42-68(60)73(67(59)41-46)65-32-16-13-27-57(65)62-29-18-28-54(70(62)73)48-19-17-24-51(43-48)74(52-35-39-58-55-25-11-14-30-63(55)71(3,4)66(58)44-52)53-36-40-61-56-26-12-15-31-64(56)72(69(61)45-53,49-20-7-5-8-21-49)50-22-9-6-10-23-50/h5-45H,1-4H3
• InChIKey: HJUWQCKOVUOROX-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.23
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 137388127) is N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c21.

What is the InChIKey of N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is HJUWQCKOVUOROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H53N/c1-46-33-37-59-60-38-34-47(2)42-68(60)73(67(59)41-46)65-32-16-13-27-57(65)62-29-18-28-54(70(62)73)48-19-17-24-51(43-48)74(52-35-39-58-55-25-11-14-30-63(55)71(3,4)66(58)44-52)53-36-40-61-56-26-12-15-31-64(56)72(69(61)45-53,49-20-7-5-8-21-49)50-22-9-6-10-23-50/h5-45H,1-4H3.

What are the key properties of N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 944.23 g/mol, XLogP of 18.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2',7'-dimethyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 137388127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).