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

C75H45NO2 — CID 138475996

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

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 138475996) has the molecular formula C75H45NO2 and a molecular weight of 992.19 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 138475996
• Molecular Formula: C75H45NO2
• Molecular Weight: 992.19 g/mol
• Exact Mass: 991.35
• IUPAC Name: N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cccc21
• InChI: InChI=1S/C75H45NO2/c1-6-26-53-47(21-1)48-22-2-7-27-54(48)73(53)55-28-8-3-23-49(55)50-44-43-46(45-64(50)73)76(65-37-19-35-62-71(65)51-24-4-9-29-56(51)74(62)58-31-11-15-39-67(58)77-68-40-16-12-32-59(68)74)66-38-20-36-63-72(66)52-25-5-10-30-57(52)75(63)60-33-13-17-41-69(60)78-70-42-18-14-34-61(70)75/h1-45H
• InChIKey: IHTRGAZTKWHOMP-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.19
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine (CID 138475996) is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine.

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

The canonical SMILES for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)cccc21.

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

The InChIKey is IHTRGAZTKWHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45NO2/c1-6-26-53-47(21-1)48-22-2-7-27-54(48)73(53)55-28-8-3-23-49(55)50-44-43-46(45-64(50)73)76(65-37-19-35-62-71(65)51-24-4-9-29-56(51)74(62)58-31-11-15-39-67(58)77-68-40-16-12-32-59(68)74)66-38-20-36-63-72(66)52-25-5-10-30-57(52)75(63)60-33-13-17-41-69(60)78-70-42-18-14-34-61(70)75/h1-45H.

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

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 992.19 g/mol, XLogP of 18.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 138475996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).