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

C76H61NO2 — CID 174282393

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

2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174282393) has the molecular formula C76H61NO2 and a molecular weight of 1020.33 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
• PubChem CID: 174282393
• Molecular Formula: C76H61NO2
• Molecular Weight: 1020.33 g/mol
• Exact Mass: 1019.47
• IUPAC Name: 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C76H61NO2/c1-73(2,3)55-38-42-60-61-43-39-56(74(4,5)6)47-65(61)76(64(60)46-55)63-30-18-21-33-70(63)79-72-45-41-58(49-67(72)76)77(68-31-19-16-28-59(68)52-36-34-51(35-37-52)50-22-10-7-11-23-50)57-40-44-71-66(48-57)75(53-24-12-8-13-25-53,54-26-14-9-15-27-54)62-29-17-20-32-69(62)78-71/h7-49H,1-6H3
• InChIKey: GDKURGQNDLYCGA-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.33
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine (CID 174282393) is 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine.

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

The canonical SMILES for 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.

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

The InChIKey is GDKURGQNDLYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H61NO2/c1-73(2,3)55-38-42-60-61-43-39-56(74(4,5)6)47-65(61)76(64(60)46-55)63-30-18-21-33-70(63)79-72-45-41-58(49-67(72)76)77(68-31-19-16-28-59(68)52-36-34-51(35-37-52)50-22-10-7-11-23-50)57-40-44-71-66(48-57)75(53-24-12-8-13-25-53,54-26-14-9-15-27-54)62-29-17-20-32-69(62)78-71/h7-49H,1-6H3.

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

2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 1020.33 g/mol, XLogP of 20.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174282393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).