1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine

C65H43N3 — CID 164838059

About 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine

1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine (PubChem CID 164838059) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine.

Molecular Properties

• Compound Name: 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
• PubChem CID: 164838059
• Molecular Formula: C65H43N3
• Molecular Weight: 866.08 g/mol
• Exact Mass: 865.35
• IUPAC Name: 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3cccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)c32)cc1
• InChI: InChI=1S/C65H43N3/c1-4-23-45(24-5-1)66(46-25-6-2-7-26-46)60-39-19-33-54-50-30-12-15-35-56(50)65(63(54)60)57-36-16-13-31-51(57)55-34-20-40-61(64(55)65)68(58-38-18-22-44-21-10-11-29-49(44)58)48-41-42-53-52-32-14-17-37-59(52)67(62(53)43-48)47-27-8-3-9-28-47/h1-43H
• InChIKey: UALMDJXFFSYSCV-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.08
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine?

The IUPAC name of 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine (CID 164838059) is 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine.

What is the SMILES notation for 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine?

The canonical SMILES for 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine is c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-3)c3ccccc3-c3cccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5ccccc45)c32)cc1.

What is the InChIKey of 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine?

The InChIKey is UALMDJXFFSYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N3/c1-4-23-45(24-5-1)66(46-25-6-2-7-26-46)60-39-19-33-54-50-30-12-15-35-56(50)65(63(54)60)57-36-16-13-31-51(57)55-34-20-40-61(64(55)65)68(58-38-18-22-44-21-10-11-29-49(44)58)48-41-42-53-52-32-14-17-37-59(52)67(62(53)43-48)47-27-8-3-9-28-47/h1-43H.

What are the key properties of 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine?

1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine has a molecular weight of 866.08 g/mol, XLogP of 17.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine is sourced from PubChem (CID 164838059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).