1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene

C65H41N3O — CID 164528228

About 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene

1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene (PubChem CID 164528228) has the molecular formula C65H41N3O and a molecular weight of 880.06 g/mol. Its IUPAC name is 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene.

Molecular Properties

• Compound Name: 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene
• PubChem CID: 164528228
• Molecular Formula: C65H41N3O
• Molecular Weight: 880.06 g/mol
• Exact Mass: 879.32
• IUPAC Name: 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene
• SMILES: CC12c3ccccc3C(C)(c3ccccc31)c1c2ncc2c1c1cc(-c3c4ccccc4cc4c3oc3ccccc34)cc3c4c5c(ncc4n2c13)C1(C)c2ccccc2C12c1ccccc1C52C
• InChI: InChI=1S/C65H41N3O/c1-61-41-20-8-10-22-43(41)62(2,44-23-11-9-21-42(44)61)59-55(61)53-39-30-35(52-36-18-6-5-17-34(36)29-38-37-19-7-16-28-51(37)69-58(38)52)31-40-54-50(68(57(39)40)49(53)32-66-59)33-67-60-56(54)63(3)45-24-12-14-26-47(45)65(63)48-27-15-13-25-46(48)64(60,65)4/h5-33H,1-4H3
• InChIKey: CWDPJPJNEWVDGO-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 43.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.06
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene?

The IUPAC name of 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene (CID 164528228) is 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene.

What is the SMILES notation for 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene?

The canonical SMILES for 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene is CC12c3ccccc3C(C)(c3ccccc31)c1c2ncc2c1c1cc(-c3c4ccccc4cc4c3oc3ccccc34)cc3c4c5c(ncc4n2c13)C1(C)c2ccccc2C12c1ccccc1C52C.

What is the InChIKey of 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene?

The InChIKey is CWDPJPJNEWVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3O/c1-61-41-20-8-10-22-43(41)62(2,44-23-11-9-21-42(44)61)59-55(61)53-39-30-35(52-36-18-6-5-17-34(36)29-38-37-19-7-16-28-51(37)69-58(38)52)31-40-54-50(68(57(39)40)49(53)32-66-59)33-67-60-56(54)63(3)45-24-12-14-26-47(45)65(63)48-27-15-13-25-46(48)64(60,65)4/h5-33H,1-4H3.

What are the key properties of 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene?

1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene has a molecular weight of 880.06 g/mol, XLogP of 14.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene is sourced from PubChem (CID 164528228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).