3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine

C65H43N3 — CID 164838063

About 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine

3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine (PubChem CID 164838063) has the molecular formula C65H43N3 and a molecular weight of 866.08 g/mol. Its IUPAC name is 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine.

Molecular Properties

• Compound Name: 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
• PubChem CID: 164838063
• Molecular Formula: C65H43N3
• Molecular Weight: 866.08 g/mol
• Exact Mass: 865.35
• IUPAC Name: 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
• SMILES: c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc32)cc1
• InChI: InChI=1S/C65H43N3/c1-4-22-45(23-5-1)66(60-36-18-21-44-20-10-11-28-50(44)60)48-39-41-58-55(42-48)51-29-12-15-32-56(51)65(58)57-33-16-13-31-54(57)64-59(65)34-19-37-62(64)67(46-24-6-2-7-25-46)49-38-40-53-52-30-14-17-35-61(52)68(63(53)43-49)47-26-8-3-9-27-47/h1-43H
• InChIKey: MQXDIKOWXQXLBK-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 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?

The IUPAC name of 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine (CID 164838063) is 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine.

What is the SMILES notation for 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?

The canonical SMILES for 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc32)cc1.

What is the InChIKey of 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?

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

What are the key properties of 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine?

3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-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 3-N'-naphthalen-1-yl-3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine is sourced from PubChem (CID 164838063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).