2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

C74H52N2 — CID 168791686

About 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine

2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791686) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 168791686
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4cc(-c5ccc6ccccc6c5)c(N(c5ccccc5)c5ccccc5)cc43)ccc21
• InChI: InChI=1S/C74H52N2/c1-73(2)65-36-20-17-33-57(65)62-44-56(41-42-66(62)73)76(55-31-13-6-14-32-55)71-47-69-63(45-60(71)50-24-7-3-8-25-50)58-34-18-21-37-67(58)74(69)68-38-22-19-35-59(68)64-46-61(52-40-39-49-23-15-16-26-51(49)43-52)72(48-70(64)74)75(53-27-9-4-10-28-53)54-29-11-5-12-30-54/h3-48H,1-2H3
• InChIKey: XOYITLMOYMGFES-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791686) is 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc4c(cc3-c3ccccc3)-c3ccccc3C43c4ccccc4-c4cc(-c5ccc6ccccc6c5)c(N(c5ccccc5)c5ccccc5)cc43)ccc21.

What is the InChIKey of 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is XOYITLMOYMGFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)65-36-20-17-33-57(65)62-44-56(41-42-66(62)73)76(55-31-13-6-14-32-55)71-47-69-63(45-60(71)50-24-7-3-8-25-50)58-34-18-21-37-67(58)74(69)68-38-22-19-35-59(68)64-46-61(52-40-39-49-23-15-16-26-51(49)43-52)72(48-70(64)74)75(53-27-9-4-10-28-53)54-29-11-5-12-30-54/h3-48H,1-2H3.

What are the key properties of 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 969.24 g/mol, XLogP of 19.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(9,9-dimethylfluoren-3-yl)-3'-naphthalen-2-yl-2-N,2-N',2-N',3-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).