4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine

C₁₁₁H₉₆N₈O₃ — CID 157080017

About 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine

4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine (PubChem CID 157080017) has the molecular formula C₁₁₁H₉₆N₈O₃ and a molecular weight of 1590.04 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine
• PubChem CID: 157080017
• Molecular Formula: C₁₁₁H₉₆N₈O₃
• Molecular Weight: 1590.04 g/mol
• Exact Mass: 1588.76
• IUPAC Name: 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(Nc3ccccn3)cc21.COc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccccn4)cc32)cc1.c1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc1
• InChI: InChI=1S/C30H20N2.C30H22N2.C20H18N2.C17H21NO.C14H15NO2/c1-4-12-25-21(9-1)22-10-2-5-13-26(22)30(25)27-14-6-3-11-23(27)24-17-16-20(19-28(24)30)32-29-15-7-8-18-31-29;1-3-11-22(12-4-1)30(23-13-5-2-6-14-23)27-16-8-7-15-25(27)26-19-18-24(21-28(26)30)32-29-17-9-10-20-31-29;1-20(2)17-8-4-3-7-15(17)16-11-10-14(13-18(16)20)22-19-9-5-6-12-21-19;1-17(2,3)13-5-7-14(8-6-13)18-15-9-11-16(19-4)12-10-15;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h1-19H,(H,31,32);1-21H,(H,31,32);3-13H,1-2H3,(H,21,22);5-12,18H,1-4H3;3-10,15H,1-2H3
• InChIKey: ADKSFSQHDFYXLL-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 126.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.04
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine?

The IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine (CID 157080017) is 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine.

What is the SMILES notation for 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine?

The canonical SMILES for 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccccn3)cc21.COc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc(OC)cc2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccccn4)cc32)cc1.c1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)nc1.

What is the InChIKey of 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine?

The InChIKey is ADKSFSQHDFYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2.C30H22N2.C20H18N2.C17H21NO.C14H15NO2/c1-4-12-25-21(9-1)22-10-2-5-13-26(22)30(25)27-14-6-3-11-23(27)24-17-16-20(19-28(24)30)32-29-15-7-8-18-31-29;1-3-11-22(12-4-1)30(23-13-5-2-6-14-23)27-16-8-7-15-25(27)26-19-18-24(21-28(26)30)32-29-17-9-10-20-31-29;1-20(2)17-8-4-3-7-15(17)16-11-10-14(13-18(16)20)22-19-9-5-6-12-21-19;1-17(2,3)13-5-7-14(8-6-13)18-15-9-11-16(19-4)12-10-15;1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h1-19H,(H,31,32);1-21H,(H,31,32);3-13H,1-2H3,(H,21,22);5-12,18H,1-4H3;3-10,15H,1-2H3.

What are the key properties of 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine?

4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine has a molecular weight of 1590.04 g/mol, XLogP of 27.67, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine;N-(9,9-diphenylfluoren-2-yl)pyridin-2-amine;4-methoxy-N-(4-methoxyphenyl)aniline;N-(9,9'-spirobi[fluorene]-2-yl)pyridin-2-amine is sourced from PubChem (CID 157080017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157080017 — identifiers, structure, computed properties (public domain)

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