3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

C85H56N2 — CID 176878089

About 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 176878089) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 176878089
• Molecular Formula: C85H56N2
• Molecular Weight: 1105.40 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C85H56N2/c1-5-22-57(23-6-1)60-40-45-69(46-41-60)86(71-54-65(58-24-7-2-8-25-58)51-66(55-71)59-26-9-3-10-27-59)70-47-42-61(43-48-70)63-50-64(53-67(52-63)72-34-21-39-83-84(72)77-33-16-20-38-82(77)87(83)68-28-11-4-12-29-68)62-44-49-76-75-32-15-19-37-80(75)85(81(76)56-62)78-35-17-13-30-73(78)74-31-14-18-36-79(74)85/h1-56H
• InChIKey: SHGZUZUTFGFZKG-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.40
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 176878089) is 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is SHGZUZUTFGFZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N2/c1-5-22-57(23-6-1)60-40-45-69(46-41-60)86(71-54-65(58-24-7-2-8-25-58)51-66(55-71)59-26-9-3-10-27-59)70-47-42-61(43-48-70)63-50-64(53-67(52-63)72-34-21-39-83-84(72)77-33-16-20-38-82(77)87(83)68-28-11-4-12-29-68)62-44-49-76-75-32-15-19-37-80(75)85(81(76)56-62)78-35-17-13-30-73(78)74-31-14-18-36-79(74)85/h1-56H.

What are the key properties of 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?

3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 1105.40 g/mol, XLogP of 22.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 176878089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).