N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

C80H51NO2 — CID 138477053

About N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 138477053) has the molecular formula C80H51NO2 and a molecular weight of 1058.29 g/mol. Its IUPAC name is N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• PubChem CID: 138477053
• Molecular Formula: C80H51NO2
• Molecular Weight: 1058.29 g/mol
• Exact Mass: 1057.39
• IUPAC Name: N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)cc3)c2)cc1
• InChI: InChI=1S/C80H51NO2/c1-2-21-52(22-3-1)54-23-16-24-55(49-54)53-45-47-58(48-46-53)81(59-27-17-25-56(50-59)61-31-19-39-71-77(61)63-29-4-6-33-65(63)79(71)67-35-8-12-41-73(67)82-74-42-13-9-36-68(74)79)60-28-18-26-57(51-60)62-32-20-40-72-78(62)64-30-5-7-34-66(64)80(72)69-37-10-14-43-75(69)83-76-44-15-11-38-70(76)80/h1-51H
• InChIKey: QDTZGGUFKDUXDQ-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.29
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The IUPAC name of N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 138477053) is N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

What is the SMILES notation for N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)c4cccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)cc3)c2)cc1.

What is the InChIKey of N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The InChIKey is QDTZGGUFKDUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H51NO2/c1-2-21-52(22-3-1)54-23-16-24-55(49-54)53-45-47-58(48-46-53)81(59-27-17-25-56(50-59)61-31-19-39-71-77(61)63-29-4-6-33-65(63)79(71)67-35-8-12-41-73(67)82-74-42-13-9-36-68(74)79)60-28-18-26-57(51-60)62-32-20-40-72-78(62)64-30-5-7-34-66(64)80(72)69-37-10-14-43-75(69)83-76-44-15-11-38-70(76)80/h1-51H.

What are the key properties of N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline has a molecular weight of 1058.29 g/mol, XLogP of 20.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-4-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 138477053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).