4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]

C78H46O2 — CID 155334397

About 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]

4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 155334397) has the molecular formula C78H46O2 and a molecular weight of 1015.22 g/mol. Its IUPAC name is 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

• Compound Name: 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]
• PubChem CID: 155334397
• Molecular Formula: C78H46O2
• Molecular Weight: 1015.22 g/mol
• Exact Mass: 1014.35
• IUPAC Name: 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]
• SMILES: c1ccc2c(c1)Oc1c(-c3cccc4c(-c5cc6ccccc6c6ccccc56)c5cccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)c5cc34)cccc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C78H46O2/c1-2-22-48-47(21-1)45-63(50-24-4-3-23-49(48)50)74-57-31-17-29-51(59-33-19-41-70-75(59)79-72-43-15-13-39-68(72)77(70)64-35-9-5-25-53(64)54-26-6-10-36-65(54)77)61(57)46-62-52(30-18-32-58(62)74)60-34-20-42-71-76(60)80-73-44-16-14-40-69(73)78(71)66-37-11-7-27-55(66)56-28-8-12-38-67(56)78/h1-46H
• InChIKey: MZFGOAIMLLVULT-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.22
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]?

The IUPAC name of 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene] (CID 155334397) is 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene].

What is the SMILES notation for 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]?

The canonical SMILES for 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1c(-c3cccc4c(-c5cc6ccccc6c6ccccc56)c5cccc(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7ccccc76)c5cc34)cccc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]?

The InChIKey is MZFGOAIMLLVULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46O2/c1-2-22-48-47(21-1)45-63(50-24-4-3-23-49(48)50)74-57-31-17-29-51(59-33-19-41-70-75(59)79-72-43-15-13-39-68(72)77(70)64-35-9-5-25-53(64)54-26-6-10-36-65(54)77)61(57)46-62-52(30-18-32-58(62)74)60-34-20-42-71-76(60)80-73-44-16-14-40-69(73)78(71)66-37-11-7-27-55(66)56-28-8-12-38-67(56)78/h1-46H.

What are the key properties of 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene]?

4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 1015.22 g/mol, XLogP of 20.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-(10-phenanthren-9-yl-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 155334397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).