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

C80H51NO2 — CID 138476230

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

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (PubChem CID 138476230) 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]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• PubChem CID: 138476230
• 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]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)cc3)c2)cc1
• InChI: InChI=1S/C80H51NO2/c1-2-19-52(20-3-1)55-21-16-22-56(49-55)53-39-44-59(45-40-53)81(60-46-41-54(42-47-60)62-27-18-34-73-78(62)64-26-5-7-29-67(64)80(73)71-32-10-14-37-76(71)83-77-38-15-11-33-72(77)80)61-24-17-23-57(50-61)58-43-48-68-65(51-58)63-25-4-6-28-66(63)79(68)69-30-8-12-35-74(69)82-75-36-13-9-31-70(75)79/h1-51H
• InChIKey: RCGQJKQXFUNZGC-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]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The IUPAC name of N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline (CID 138476230) is N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-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]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline?

The canonical SMILES for N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6ccccc65)c4)cc3)c2)cc1.

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

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

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

N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-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]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline is sourced from PubChem (CID 138476230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).