26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione

C74H41N3O2 — CID 164528294

About 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione

26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione (PubChem CID 164528294) has the molecular formula C74H41N3O2 and a molecular weight of 1004.16 g/mol. Its IUPAC name is 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione.

Molecular Properties

• Compound Name: 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione
• PubChem CID: 164528294
• Molecular Formula: C74H41N3O2
• Molecular Weight: 1004.16 g/mol
• Exact Mass: 1003.32
• IUPAC Name: 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione
• SMILES: O=C1c2cc3c(cc2C24c5ccccc5C2c2ccccc2C14)c1cc(-n2c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c42)cc2c4cc5c(cc4n3c12)C(=O)C1c2ccccc2C2c3ccccc3C512
• InChI: InChI=1S/C74H41N3O2/c78-71-54-36-62-50(34-58(54)73-56-26-12-8-24-48(56)64(73)42-20-4-6-22-44(42)66(71)73)52-32-39(76-61-29-15-11-19-41(61)47-31-30-46-40-18-10-14-28-60(40)75(69(46)70(47)76)38-16-2-1-3-17-38)33-53-51-35-59-55(37-63(51)77(62)68(52)53)72(79)67-45-23-7-5-21-43(45)65-49-25-9-13-27-57(49)74(59,65)67/h1-37,64-67H
• InChIKey: ADBXEGGGXUEISY-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 48.41 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.16
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione?

The IUPAC name of 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione (CID 164528294) is 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione.

What is the SMILES notation for 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione?

The canonical SMILES for 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione is O=C1c2cc3c(cc2C24c5ccccc5C2c2ccccc2C14)c1cc(-n2c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c42)cc2c4cc5c(cc4n3c12)C(=O)C1c2ccccc2C2c3ccccc3C512.

What is the InChIKey of 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione?

The InChIKey is ADBXEGGGXUEISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H41N3O2/c78-71-54-36-62-50(34-58(54)73-56-26-12-8-24-48(56)64(73)42-20-4-6-22-44(42)66(71)73)52-32-39(76-61-29-15-11-19-41(61)47-31-30-46-40-18-10-14-28-60(40)75(69(46)70(47)76)38-16-2-1-3-17-38)33-53-51-35-59-55(37-63(51)77(62)68(52)53)72(79)67-45-23-7-5-21-43(45)65-49-25-9-13-27-57(49)74(59,65)67/h1-37,64-67H.

What are the key properties of 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione?

26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione has a molecular weight of 1004.16 g/mol, XLogP of 16.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(11-phenylindolo[2,3-a]carbazol-12-yl)-1-azapentadecacyclo[26.22.1.02,23.04,21.06,20.07,12.013,20.014,19.024,51.029,50.031,48.032,39.032,46.033,38.040,45]henpentaconta-2,4(21),7,9,11,14,16,18,22,24,26,28(51),29,31(48),33,35,37,40,42,44,49-henicosaene-5,47-dione is sourced from PubChem (CID 164528294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).