12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

C74H52N2O2 — CID 164809559

About 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene

12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (PubChem CID 164809559) has the molecular formula C74H52N2O2 and a molecular weight of 1001.24 g/mol. Its IUPAC name is 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene.

Molecular Properties

• Compound Name: 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• PubChem CID: 164809559
• Molecular Formula: C74H52N2O2
• Molecular Weight: 1001.24 g/mol
• Exact Mass: 1000.40
• IUPAC Name: 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
• SMILES: CC(C)(C)c1ccc(-c2ccc3c4c5c6cc(-c7cccc8oc9ccccc9c78)ccc6n6c7cc(-c8ccc(C(C)(C)C)cc8)ccc7c(c7c8cc(-c9cccc%10oc%11ccccc%11c9%10)ccc8n(c3c2)c74)c56)cc1
• InChI: InChI=1S/C74H52N2O2/c1-73(2,3)47-29-21-41(22-30-47)43-25-33-51-59(39-43)75-57-35-27-45(49-15-11-19-63-65(49)53-13-7-9-17-61(53)77-63)37-55(57)70-68-52-34-26-44(42-23-31-48(32-24-42)74(4,5)6)40-60(52)76-58-36-28-46(38-56(58)69(72(68)76)67(51)71(70)75)50-16-12-20-64-66(50)54-14-8-10-18-62(54)78-64/h7-40H,1-6H3
• InChIKey: RQNNTPOXUDPMPG-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.24
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The IUPAC name of 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene (CID 164809559) is 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene.

What is the SMILES notation for 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The canonical SMILES for 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene is CC(C)(C)c1ccc(-c2ccc3c4c5c6cc(-c7cccc8oc9ccccc9c78)ccc6n6c7cc(-c8ccc(C(C)(C)C)cc8)ccc7c(c7c8cc(-c9cccc%10oc%11ccccc%11c9%10)ccc8n(c3c2)c74)c56)cc1.

What is the InChIKey of 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

The InChIKey is RQNNTPOXUDPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2O2/c1-73(2,3)47-29-21-41(22-30-47)43-25-33-51-59(39-43)75-57-35-27-45(49-15-11-19-63-65(49)53-13-7-9-17-61(53)77-63)37-55(57)70-68-52-34-26-44(42-23-31-48(32-24-42)74(4,5)6)40-60(52)76-58-36-28-46(38-56(58)69(72(68)76)67(51)71(70)75)50-16-12-20-64-66(50)54-14-8-10-18-62(54)78-64/h7-40H,1-6H3.

What are the key properties of 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene?

12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene has a molecular weight of 1001.24 g/mol, XLogP of 21.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene is sourced from PubChem (CID 164809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).