2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

C76H61NO — CID 174278515

About 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine

2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 174278515) has the molecular formula C76H61NO and a molecular weight of 1004.33 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

• Compound Name: 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
• PubChem CID: 174278515
• Molecular Formula: C76H61NO
• Molecular Weight: 1004.33 g/mol
• Exact Mass: 1003.48
• IUPAC Name: 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccc(-c4ccccc4)cc3)cccc21
• InChI: InChI=1S/C76H61NO/c1-73(2,3)55-41-45-70-66(47-55)76(67-48-56(74(4,5)6)42-46-71(67)78-70)63-33-20-17-31-61(63)72-64(76)34-22-36-69(72)77(68-35-21-18-29-58(68)52-39-37-51(38-40-52)50-23-10-7-11-24-50)57-43-44-60-59-30-16-19-32-62(59)75(65(60)49-57,53-25-12-8-13-26-53)54-27-14-9-15-28-54/h7-49H,1-6H3
• InChIKey: UVKMKASKOUAVJC-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.33
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

The IUPAC name of 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (CID 174278515) is 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccc(-c4ccccc4)cc3)cccc21.

What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

The InChIKey is UVKMKASKOUAVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H61NO/c1-73(2,3)55-41-45-70-66(47-55)76(67-48-56(74(4,5)6)42-46-71(67)78-70)63-33-20-17-31-61(63)72-64(76)34-22-36-69(72)77(68-35-21-18-29-58(68)52-39-37-51(38-40-52)50-23-10-7-11-24-50)57-43-44-60-59-30-16-19-32-62(59)75(65(60)49-57,53-25-12-8-13-26-53)54-27-14-9-15-28-54/h7-49H,1-6H3.

What are the key properties of 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?

2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 1004.33 g/mol, XLogP of 19.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 174278515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).