N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

C81H51NO2 — CID 138475861

About N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138475861) has the molecular formula C81H51NO2 and a molecular weight of 1070.30 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
• PubChem CID: 138475861
• Molecular Formula: C81H51NO2
• Molecular Weight: 1070.30 g/mol
• Exact Mass: 1069.39
• IUPAC Name: N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)cccc32)cc1
• InChI: InChI=1S/C81H51NO2/c1-3-23-53(24-4-1)79(54-25-5-2-6-26-54)63-32-11-8-28-60(63)77-57(30-21-38-69(77)79)52-45-47-55(48-46-52)82(56-49-50-59-58-27-7-10-31-62(58)81(71(59)51-56)67-36-15-19-43-75(67)84-76-44-20-16-37-68(76)81)72-40-22-39-70-78(72)61-29-9-12-33-64(61)80(70)65-34-13-17-41-73(65)83-74-42-18-14-35-66(74)80/h1-51H
• InChIKey: MLLUBTRBVGLVEB-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.30
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138475861) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.

What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4ccc(N(c5ccc6c(c5)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cc4)cccc32)cc1.

What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?

The InChIKey is MLLUBTRBVGLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51NO2/c1-3-23-53(24-4-1)79(54-25-5-2-6-26-54)63-32-11-8-28-60(63)77-57(30-21-38-69(77)79)52-45-47-55(48-46-52)82(56-49-50-59-58-27-7-10-31-62(58)81(71(59)51-56)67-36-15-19-43-75(67)84-76-44-20-16-37-68(76)81)72-40-22-39-70-78(72)61-29-9-12-33-64(61)80(70)65-34-13-17-41-73(65)83-74-42-18-14-35-66(74)80/h1-51H.

What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1070.30 g/mol, XLogP of 20.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138475861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).