9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

C132H76N4O2 — CID 162094159

About 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene

9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (PubChem CID 162094159) has the molecular formula C132H76N4O2 and a molecular weight of 1750.09 g/mol. Its IUPAC name is 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
• PubChem CID: 162094159
• Molecular Formula: C132H76N4O2
• Molecular Weight: 1750.09 g/mol
• Exact Mass: 1748.60
• IUPAC Name: 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene
• SMILES: c1ccc(-c2c3c4cccc5c6cc(-c7ccc8oc9ccccc9c8c7)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc8n(c23)c76)c54)cc1.c1ccc(-c2ccc(-c3cc4c5ccccc5n5c6c(-c7ccccc7)c7c8cc(-c9ccc(-c%10ccccc%10)cc9)cc9c%10ccccc%10n(c7c(-c7ccccc7)c6c(c3)c45)c98)cc2)cc1
• InChI: InChI=1S/C66H36N2O2.C66H40N2/c1-3-13-37(14-4-1)59-61-47-21-11-19-45-50-34-40(42-28-32-58-52(36-42)44-18-8-10-24-56(44)70-58)26-30-54(50)68(63(45)47)66(61)60(38-15-5-2-6-16-38)62-48-22-12-20-46-49-33-39(25-29-53(49)67(64(46)48)65(59)62)41-27-31-57-51(35-41)43-17-7-9-23-55(43)69-57;1-5-17-41(18-6-1)43-29-33-45(34-30-43)49-37-53-51-25-13-15-27-57(51)67-63(53)55(39-49)61-59(47-21-9-3-10-22-47)66-62(60(65(61)67)48-23-11-4-12-24-48)56-40-50(38-54-52-26-14-16-28-58(52)68(66)64(54)56)46-35-31-44(32-36-46)42-19-7-2-8-20-42/h1-36H;1-40H
• InChIKey: ZEABNVBWWNQBQX-UHFFFAOYSA-N
• XLogP: 36.44
• TPSA: 43.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.09
LogP ≤ 5	36.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?

The IUPAC name of 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene (CID 162094159) is 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene.

What is the SMILES notation for 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?

The canonical SMILES for 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is c1ccc(-c2c3c4cccc5c6cc(-c7ccc8oc9ccccc9c8c7)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc8n(c23)c76)c54)cc1.c1ccc(-c2ccc(-c3cc4c5ccccc5n5c6c(-c7ccccc7)c7c8cc(-c9ccc(-c%10ccccc%10)cc9)cc9c%10ccccc%10n(c7c(-c7ccccc7)c6c(c3)c45)c98)cc2)cc1.

What is the InChIKey of 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?

The InChIKey is ZEABNVBWWNQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H36N2O2.C66H40N2/c1-3-13-37(14-4-1)59-61-47-21-11-19-45-50-34-40(42-28-32-58-52(36-42)44-18-8-10-24-56(44)70-58)26-30-54(50)68(63(45)47)66(61)60(38-15-5-2-6-16-38)62-48-22-12-20-46-49-33-39(25-29-53(49)67(64(46)48)65(59)62)41-27-31-57-51(35-41)43-17-7-9-23-55(43)69-57;1-5-17-41(18-6-1)43-29-33-45(34-30-43)49-37-53-51-25-13-15-27-57(51)67-63(53)55(39-49)61-59(47-21-9-3-10-22-47)66-62(60(65(61)67)48-23-11-4-12-24-48)56-40-50(38-54-52-26-14-16-28-58(52)68(66)64(54)56)46-35-31-44(32-36-46)42-19-7-2-8-20-42/h1-36H;1-40H.

What are the key properties of 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene?

9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene has a molecular weight of 1750.09 g/mol, XLogP of 36.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-di(dibenzofuran-2-yl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene;3,18-diphenyl-14,29-bis(4-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6,8,10,12(32),13,15,18,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 162094159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).