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

C74H50N2 — CID 135168816

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

N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 135168816) has the molecular formula C74H50N2 and a molecular weight of 967.23 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
• PubChem CID: 135168816
• Molecular Formula: C74H50N2
• Molecular Weight: 967.23 g/mol
• Exact Mass: 966.40
• IUPAC Name: N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C74H50N2/c1-5-22-51(23-6-1)52-40-42-53(43-41-52)54-44-46-58(47-45-54)75(71-39-21-36-67-72(71)62-31-14-16-33-64(62)73(67,55-24-7-2-8-25-55)56-26-9-3-10-27-56)59-48-49-61-60-30-13-15-32-63(60)74(68(61)50-59)65-34-17-19-37-69(65)76(57-28-11-4-12-29-57)70-38-20-18-35-66(70)74/h1-50H
• InChIKey: JOMMNQAQDSEOPQ-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.23
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine (CID 135168816) is N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine.

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

The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.

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

The InChIKey is JOMMNQAQDSEOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N2/c1-5-22-51(23-6-1)52-40-42-53(43-41-52)54-44-46-58(47-45-54)75(71-39-21-36-67-72(71)62-31-14-16-33-64(62)73(67,55-24-7-2-8-25-55)56-26-9-3-10-27-56)59-48-49-61-60-30-13-15-32-63(60)74(68(61)50-59)65-34-17-19-37-69(65)76(57-28-11-4-12-29-57)70-38-20-18-35-66(70)74/h1-50H.

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

N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 967.23 g/mol, XLogP of 19.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 135168816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).