3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

C101H66N3OP — CID 167178141

About 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]

3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 167178141) has the molecular formula C101H66N3OP and a molecular weight of 1368.63 g/mol. Its IUPAC name is 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 167178141
• Molecular Formula: C101H66N3OP
• Molecular Weight: 1368.63 g/mol
• Exact Mass: 1367.49
• IUPAC Name: 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)c5)c5ccc(-c6ccccc6)nc45)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C101H66N3OP/c105-106(75-33-9-3-10-34-75,76-35-11-4-12-36-76)77-58-53-67(54-59-77)79-39-26-46-92-98(79)83-38-14-16-41-86(83)101(92)90-44-19-23-49-96(90)104(97-50-24-20-45-91(97)101)74-56-51-68(52-57-74)80-61-60-78(82-62-64-93(102-99(80)82)69-27-5-1-6-28-69)72-30-25-29-70(65-72)71-55-63-87-84(66-71)81-37-13-15-40-85(81)100(87)88-42-17-21-47-94(88)103(73-31-7-2-8-32-73)95-48-22-18-43-89(95)100/h1-66H
• InChIKey: NQAMMBUSHRYVBS-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1368.63
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 167178141) is 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)c5)c5ccc(-c6ccccc6)nc45)cc3)c3ccccc32)cc1.

What is the InChIKey of 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is NQAMMBUSHRYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H66N3OP/c105-106(75-33-9-3-10-34-75,76-35-11-4-12-36-76)77-58-53-67(54-59-77)79-39-26-46-92-98(79)83-38-14-16-41-86(83)101(92)90-44-19-23-49-96(90)104(97-50-24-20-45-91(97)101)74-56-51-68(52-57-74)80-61-60-78(82-62-64-93(102-99(80)82)69-27-5-1-6-28-69)72-30-25-29-70(65-72)71-55-63-87-84(66-71)81-37-13-15-40-85(81)100(87)88-42-17-21-47-94(88)103(73-31-7-2-8-32-73)95-48-22-18-43-89(95)100/h1-66H.

What are the key properties of 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]?

3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 1368.63 g/mol, XLogP of 24.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[3-[8-[4-[4'-(4-diphenylphosphorylphenyl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-2-phenylquinolin-5-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 167178141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).