10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine

C74H48N2 — CID 135166841

About 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine

10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 135166841) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
• PubChem CID: 135166841
• Molecular Formula: C74H48N2
• Molecular Weight: 965.21 g/mol
• Exact Mass: 964.38
• IUPAC Name: 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C74H48N2/c1-3-25-49(26-4-1)51-29-7-8-30-52(51)55-33-13-20-44-66(55)76(69-47-23-42-64-71(69)56-34-11-16-38-60(56)73(64)58-36-14-9-31-53(58)54-32-10-15-37-59(54)73)70-48-24-43-65-72(70)57-35-12-17-39-61(57)74(65)62-40-18-21-45-67(62)75(50-27-5-2-6-28-50)68-46-22-19-41-63(68)74/h1-48H
• InChIKey: KDYCLOPYIGBIHO-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.21
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine?

The IUPAC name of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine (CID 135166841) is 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine.

What is the SMILES notation for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine?

The canonical SMILES for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2-c2ccccc2C32c3ccccc3N(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine?

The InChIKey is KDYCLOPYIGBIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-3-25-49(26-4-1)51-29-7-8-30-52(51)55-33-13-20-44-66(55)76(69-47-23-42-64-71(69)56-34-11-16-38-60(56)73(64)58-36-14-9-31-53(58)54-32-10-15-37-59(54)73)70-48-24-43-65-72(70)57-35-12-17-39-61(57)74(65)62-40-18-21-45-67(62)75(50-27-5-2-6-28-50)68-46-22-19-41-63(68)74/h1-48H.

What are the key properties of 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine?

10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 965.21 g/mol, XLogP of 18.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 135166841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).