10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]

C62H47NO — CID 166909529

About 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]

10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene] (PubChem CID 166909529) has the molecular formula C62H47NO and a molecular weight of 822.06 g/mol. Its IUPAC name is 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene].

Molecular Properties

• Compound Name: 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]
• PubChem CID: 166909529
• Molecular Formula: C62H47NO
• Molecular Weight: 822.06 g/mol
• Exact Mass: 821.37
• IUPAC Name: 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]
• SMILES: CC1(C)c2ccccc2C2(c3ccccc31)c1ccccc1C(C)(Cc1ccc3c(c1)C1(c4ccccc4Oc4ccccc41)c1ccccc1N3c1ccccc1)c1ccccc12
• InChI: InChI=1S/C62H47NO/c1-59(2)43-23-7-11-27-47(43)61(48-28-12-8-24-44(48)59)49-29-13-9-25-45(49)60(3,46-26-10-14-30-50(46)61)40-41-37-38-56-54(39-41)62(51-31-15-18-34-55(51)63(56)42-21-5-4-6-22-42)52-32-16-19-35-57(52)64-58-36-20-17-33-53(58)62/h4-39H,40H2,1-3H3
• InChIKey: XJWIOFWHHXRHNW-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.06
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]?

The IUPAC name of 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene] (CID 166909529) is 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene].

What is the SMILES notation for 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]?

The canonical SMILES for 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene] is CC1(C)c2ccccc2C2(c3ccccc31)c1ccccc1C(C)(Cc1ccc3c(c1)C1(c4ccccc4Oc4ccccc41)c1ccccc1N3c1ccccc1)c1ccccc12.

What is the InChIKey of 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]?

The InChIKey is XJWIOFWHHXRHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NO/c1-59(2)43-23-7-11-27-47(43)61(48-28-12-8-24-44(48)59)49-29-13-9-25-45(49)60(3,46-26-10-14-30-50(46)61)40-41-37-38-56-54(39-41)62(51-31-15-18-34-55(51)63(56)42-21-5-4-6-22-42)52-32-16-19-35-57(52)64-58-36-20-17-33-53(58)62/h4-39H,40H2,1-3H3.

What are the key properties of 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene]?

10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene] has a molecular weight of 822.06 g/mol, XLogP of 14.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-2-[(9,9,9'-trimethyl-10,10'-spirobi[anthracene]-9'-yl)methyl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 166909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).