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

C65H43N3 — CID 164838093

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

2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine (PubChem CID 164838093) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine.

Molecular Properties

• Compound Name: 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
• PubChem CID: 164838093
• Molecular Formula: C65H43N3
• Molecular Weight: 866.08 g/mol
• Exact Mass: 865.35
• IUPAC Name: 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccc(N(c5ccc6ccccc6c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc42)c2ccccc2-3)cc1
• InChI: InChI=1S/C65H43N3/c1-4-21-46(22-5-1)67(47-23-6-2-7-24-47)62-34-18-30-57-53-28-13-16-32-59(53)65(64(57)62)58-31-15-12-27-52(58)54-39-37-50(42-60(54)65)66(49-36-35-44-19-10-11-20-45(44)41-49)51-38-40-56-55-29-14-17-33-61(55)68(63(56)43-51)48-25-8-3-9-26-48/h1-43H
• InChIKey: CCSPCCLSUCNELU-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 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine?

The IUPAC name of 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine (CID 164838093) is 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine.

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

The canonical SMILES for 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine is c1ccc(N(c2ccccc2)c2cccc3c2C2(c4ccccc4-c4ccc(N(c5ccc6ccccc6c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc42)c2ccccc2-3)cc1.

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

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

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

2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-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 2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine is sourced from PubChem (CID 164838093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).