16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine

C85H74N2O2 — CID 137493403

About 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine

16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine (PubChem CID 137493403) has the molecular formula C85H74N2O2 and a molecular weight of 1155.54 g/mol. Its IUPAC name is 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine.

Molecular Properties

• Compound Name: 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine
• PubChem CID: 137493403
• Molecular Formula: C85H74N2O2
• Molecular Weight: 1155.54 g/mol
• Exact Mass: 1154.58
• IUPAC Name: 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2ccc2c5ccccc5oc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2ccc2oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C85H74N2O2/c1-81(2,3)51-29-37-55(38-30-51)86(56-39-31-52(32-40-56)82(4,5)6)70-49-69-79(78-63(70)46-45-62-61-23-15-19-27-72(61)89-80(62)78)75-65-47-48-74-77(64-24-16-20-28-73(64)88-74)76(65)71(50-68(75)85(69)66-25-17-13-21-59(66)60-22-14-18-26-67(60)85)87(57-41-33-53(34-42-57)83(7,8)9)58-43-35-54(36-44-58)84(10,11)12/h13-50H,1-12H3
• InChIKey: CDRVHUKCFPQDPL-UHFFFAOYSA-N
• XLogP: 24.26
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.54
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine?

The IUPAC name of 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine (CID 137493403) is 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine.

What is the SMILES notation for 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine?

The canonical SMILES for 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2ccc2c5ccccc5oc24)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4c2ccc2oc5ccccc5c24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine?

The InChIKey is CDRVHUKCFPQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H74N2O2/c1-81(2,3)51-29-37-55(38-30-51)86(56-39-31-52(32-40-56)82(4,5)6)70-49-69-79(78-63(70)46-45-62-61-23-15-19-27-72(61)89-80(62)78)75-65-47-48-74-77(64-24-16-20-28-73(64)88-74)76(65)71(50-68(75)85(69)66-25-17-13-21-59(66)60-22-14-18-26-67(60)85)87(57-41-33-53(34-42-57)83(7,8)9)58-43-35-54(36-44-58)84(10,11)12/h13-50H,1-12H3.

What are the key properties of 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine?

16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine has a molecular weight of 1155.54 g/mol, XLogP of 24.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine is sourced from PubChem (CID 137493403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).