N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine

C169H133N3OS2 — CID 163876637

About N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine

N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine (PubChem CID 163876637) has the molecular formula C169H133N3OS2 and a molecular weight of 2286.08 g/mol. Its IUPAC name is N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine.

Molecular Properties

• Compound Name: N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine
• PubChem CID: 163876637
• Molecular Formula: C169H133N3OS2
• Molecular Weight: 2286.08 g/mol
• Exact Mass: 2283.99
• IUPAC Name: N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine
• SMILES: Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2sc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)c3cccc4sc5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C58H45NO.C58H45NS.C53H43NS/c2*1-3-12-39(13-4-1)40-22-25-45(26-23-40)59(54-19-11-21-56-57(54)49-17-8-10-20-55(49)60-56)46-27-28-47(50(36-46)41-14-5-2-6-15-41)42-24-29-53-51(35-42)48-16-7-9-18-52(48)58(53)43-31-37-30-38(33-43)34-44(58)32-37;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h2*1-29,35-38,43-44H,30-34H2;2-26,32,34-35,39-40H,27-31H2,1H3
• InChIKey: PPLUBXFHSYTDHJ-UHFFFAOYSA-N
• XLogP: 46.92
• TPSA: 22.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2286.08
LogP ≤ 5	46.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine?

The IUPAC name of N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine (CID 163876637) is N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine.

What is the SMILES notation for N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine?

The canonical SMILES for N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2sc2ccccc23)ccc1-c1ccc2c(c1)-c1ccccc1C21C2CC3CC(C2)CC1C3.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)c3cccc4oc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c(-c4ccccc4)c3)c3cccc4sc5ccccc5c34)cc2)cc1.

What is the InChIKey of N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine?

The InChIKey is PPLUBXFHSYTDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45NO.C58H45NS.C53H43NS/c2*1-3-12-39(13-4-1)40-22-25-45(26-23-40)59(54-19-11-21-56-57(54)49-17-8-10-20-55(49)60-56)46-27-28-47(50(36-46)41-14-5-2-6-15-41)42-24-29-53-51(35-42)48-16-7-9-18-52(48)58(53)43-31-37-30-38(33-43)34-44(58)32-37;1-33-26-42(54(41-21-18-37(19-22-41)36-10-3-2-4-11-36)50-16-9-14-46-45-13-6-8-17-51(45)55-52(46)50)23-24-43(33)38-20-25-49-47(32-38)44-12-5-7-15-48(44)53(49)39-28-34-27-35(30-39)31-40(53)29-34/h2*1-29,35-38,43-44H,30-34H2;2-26,32,34-35,39-40H,27-31H2,1H3.

What are the key properties of N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine?

N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine has a molecular weight of 2286.08 g/mol, XLogP of 46.92, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine;N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 163876637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).