N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline

C80H51NO2 — CID 138477818

About N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline

N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline (PubChem CID 138477818) has the molecular formula C80H51NO2 and a molecular weight of 1058.29 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
• PubChem CID: 138477818
• Molecular Formula: C80H51NO2
• Molecular Weight: 1058.29 g/mol
• Exact Mass: 1057.39
• IUPAC Name: N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1
• InChI: InChI=1S/C80H51NO2/c1-2-20-52(21-3-1)53-38-40-54(41-39-53)55-42-46-58(47-43-55)81(73-32-14-6-22-59(73)56-44-48-67-63(50-56)61-24-4-8-26-65(61)79(67)69-28-10-16-34-75(69)82-76-35-17-11-29-70(76)79)74-33-15-7-23-60(74)57-45-49-68-64(51-57)62-25-5-9-27-66(62)80(68)71-30-12-18-36-77(71)83-78-37-19-13-31-72(78)80/h1-51H
• InChIKey: RGTPSYZYSJWHNT-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-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline?

The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline (CID 138477818) is N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline.

What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline?

The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)c4ccccc4-c4ccc5c(c4)-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline?

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

What are the key properties of N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline?

N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-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-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline is sourced from PubChem (CID 138477818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).