4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine

C134H115Br2N3O4 — CID 160768217

About 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine

4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine (PubChem CID 160768217) has the molecular formula C134H115Br2N3O4 and a molecular weight of 1991.22 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine.

Molecular Properties

• Compound Name: 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
• PubChem CID: 160768217
• Molecular Formula: C134H115Br2N3O4
• Molecular Weight: 1991.22 g/mol
• Exact Mass: 1987.73
• IUPAC Name: 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine
• SMILES: Brc1cc2c(c3c1oc1ccccc13)-c1c(cc(Br)c3c1oc1ccccc13)C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C77H70N2O2.C37H18Br2O2.C20H27N/c1-73(2,3)47-29-37-51(38-30-47)78(52-39-31-48(32-40-52)74(4,5)6)63-45-62-70(72-67(63)57-23-15-19-27-65(57)81-72)69-61(77(62)59-25-17-13-21-55(59)56-22-14-18-26-60(56)77)46-64(71-68(69)58-24-16-20-28-66(58)80-71)79(53-41-33-49(34-42-53)75(7,8)9)54-43-35-50(36-44-54)76(10,11)12;38-27-17-26-34(36-31(27)21-11-3-7-15-29(21)41-36)33-25(18-28(39)35-32(33)22-12-4-8-16-30(22)40-35)37(26)23-13-5-1-9-19(23)20-10-2-6-14-24(20)37;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h13-46H,1-12H3;1-18H;7-14,21H,1-6H3
• InChIKey: RYYSPWIPBJCSDP-UHFFFAOYSA-N
• XLogP: 39.34
• TPSA: 71.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1991.22
LogP ≤ 5	39.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine (CID 160768217) is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine.

What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The canonical SMILES for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine is Brc1cc2c(c3c1oc1ccccc13)-c1c(cc(Br)c3c1oc1ccccc13)C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2oc2ccccc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2oc2ccccc24)C32c3ccccc3-c3ccccc32)cc1.CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

The InChIKey is RYYSPWIPBJCSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H70N2O2.C37H18Br2O2.C20H27N/c1-73(2,3)47-29-37-51(38-30-47)78(52-39-31-48(32-40-52)74(4,5)6)63-45-62-70(72-67(63)57-23-15-19-27-65(57)81-72)69-61(77(62)59-25-17-13-21-55(59)56-22-14-18-26-60(56)77)46-64(71-68(69)58-24-16-20-28-66(58)80-71)79(53-41-33-49(34-42-53)75(7,8)9)54-43-35-50(36-44-54)76(10,11)12;38-27-17-26-34(36-31(27)21-11-3-7-15-29(21)41-36)33-25(18-28(39)35-32(33)22-12-4-8-16-30(22)40-35)37(26)23-13-5-1-9-19(23)20-10-2-6-14-24(20)37;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h13-46H,1-12H3;1-18H;7-14,21H,1-6H3.

What are the key properties of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine?

4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine has a molecular weight of 1991.22 g/mol, XLogP of 39.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;12,18-dibromospiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene];12-N,12-N,18-N,18-N-tetrakis(4-tert-butylphenyl)spiro[10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]-12,18-diamine is sourced from PubChem (CID 160768217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).