8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene

C88H46N10 — CID 170534770

About 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene

8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene (PubChem CID 170534770) has the molecular formula C88H46N10 and a molecular weight of 1243.41 g/mol. Its IUPAC name is 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene.

Molecular Properties

• Compound Name: 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene
• PubChem CID: 170534770
• Molecular Formula: C88H46N10
• Molecular Weight: 1243.41 g/mol
• Exact Mass: 1242.39
• IUPAC Name: 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene
• SMILES: c1cc2cccc3c4nc5c(nc4c(c1)c23)c1c2cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n6c7ccccc7c7ccccc76)cnc4n(c32)c1c1c5c2cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n5c6ccccc6c6ccccc65)cnc4n1c32
• InChI: InChI=1S/C88H46N10/c1-9-31-68-52(21-1)53-22-2-10-32-69(53)93(68)48-39-62-64-43-50(95-72-35-13-5-25-56(72)57-26-6-14-36-73(57)95)45-89-87(64)97-83(62)66(41-48)77-81-82(92-80-61-30-18-20-47-19-17-29-60(76(47)61)79(80)91-81)78-67-42-49(94-70-33-11-3-23-54(70)55-24-4-12-34-71(55)94)40-63-65-44-51(46-90-88(65)98(84(63)67)86(78)85(77)97)96-74-37-15-7-27-58(74)59-28-8-16-38-75(59)96/h1-46H
• InChIKey: UFTXQIRRCWPQAA-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 80.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.41
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene?

The IUPAC name of 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene (CID 170534770) is 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene.

What is the SMILES notation for 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene?

The canonical SMILES for 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene is c1cc2cccc3c4nc5c(nc4c(c1)c23)c1c2cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n6c7ccccc7c7ccccc76)cnc4n(c32)c1c1c5c2cc(-n3c4ccccc4c4ccccc43)cc3c4cc(-n5c6ccccc6c6ccccc65)cnc4n1c32.

What is the InChIKey of 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene?

The InChIKey is UFTXQIRRCWPQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H46N10/c1-9-31-68-52(21-1)53-22-2-10-32-69(53)93(68)48-39-62-64-43-50(95-72-35-13-5-25-56(72)57-26-6-14-36-73(57)95)45-89-87(64)97-83(62)66(41-48)77-81-82(92-80-61-30-18-20-47-19-17-29-60(76(47)61)79(80)91-81)78-67-42-49(94-70-33-11-3-23-54(70)55-24-4-12-34-71(55)94)40-63-65-44-51(46-90-88(65)98(84(63)67)86(78)85(77)97)96-74-37-15-7-27-58(74)59-28-8-16-38-75(59)96/h1-46H.

What are the key properties of 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene?

8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene has a molecular weight of 1243.41 g/mol, XLogP of 22.01, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,35,40-tetra(carbazol-9-yl)-1,4,6,18,30,42-hexazatridecacyclo[31.10.1.14,11.120,24.02,32.03,16.05,10.017,31.019,29.037,44.038,43.015,46.028,45]hexatetraconta-2,5(10),6,8,11(46),12,14,16,18,20,22,24(45),25,27,29,31,33,35,37(44),38(43),39,41-docosaene is sourced from PubChem (CID 170534770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).