N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine

C160H132N4O2S2 — CID 163870746

About N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine

N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine (PubChem CID 163870746) has the molecular formula C160H132N4O2S2 and a molecular weight of 2206.98 g/mol. Its IUPAC name is N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
• PubChem CID: 163870746
• Molecular Formula: C160H132N4O2S2
• Molecular Weight: 2206.98 g/mol
• Exact Mass: 2204.98
• IUPAC Name: N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
• SMILES: c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1
• InChI: InChI=1S/2C40H33NO.2C40H33NS/c1-2-9-29(10-3-1)41(30-17-18-33-32-12-5-7-16-37(32)42-38(33)24-30)36-15-8-13-34-31-11-4-6-14-35(31)40(39(34)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-38-34(24-30)32-12-5-7-16-37(32)42-38)36-15-8-13-33-31-11-4-6-14-35(31)40(39(33)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-33-32-12-5-7-16-37(32)42-38(33)24-30)36-15-8-13-34-31-11-4-6-14-35(31)40(39(34)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-38-34(24-30)32-12-5-7-16-37(32)42-38)36-15-8-13-33-31-11-4-6-14-35(31)40(39(33)36)27-20-25-19-26(22-27)23-28(40)21-25/h4*1-18,24-28H,19-23H2
• InChIKey: PKOOKTVFDPQZAQ-UHFFFAOYSA-N
• XLogP: 44.05
• TPSA: 39.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2206.98
LogP ≤ 5	44.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine?

The IUPAC name of N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine (CID 163870746) is N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine.

What is the SMILES notation for N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine?

The canonical SMILES for N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-3)C3CC4CC(C3)CC2C4)cc1.

What is the InChIKey of N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine?

The InChIKey is PKOOKTVFDPQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H33NO.2C40H33NS/c1-2-9-29(10-3-1)41(30-17-18-33-32-12-5-7-16-37(32)42-38(33)24-30)36-15-8-13-34-31-11-4-6-14-35(31)40(39(34)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-38-34(24-30)32-12-5-7-16-37(32)42-38)36-15-8-13-33-31-11-4-6-14-35(31)40(39(33)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-33-32-12-5-7-16-37(32)42-38(33)24-30)36-15-8-13-34-31-11-4-6-14-35(31)40(39(34)36)27-20-25-19-26(22-27)23-28(40)21-25;1-2-9-29(10-3-1)41(30-17-18-38-34(24-30)32-12-5-7-16-37(32)42-38)36-15-8-13-33-31-11-4-6-14-35(31)40(39(33)36)27-20-25-19-26(22-27)23-28(40)21-25/h4*1-18,24-28H,19-23H2.

What are the key properties of N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine?

N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine has a molecular weight of 2206.98 g/mol, XLogP of 44.05, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine is sourced from PubChem (CID 163870746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).