4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C70H41N7O — CID 146654807

About 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654807) has the molecular formula C70H41N7O and a molecular weight of 996.15 g/mol. Its IUPAC name is 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

• Compound Name: 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• PubChem CID: 146654807
• Molecular Formula: C70H41N7O
• Molecular Weight: 996.15 g/mol
• Exact Mass: 995.34
• IUPAC Name: 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• SMILES: c1cc(-n2c3ccccc3c3ccccc32)c2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc31)c1cccc(-n3c4ccccc4c4ccncc43)c1O2
• InChI: InChI=1S/C70H41N7O/c1-8-26-56-44(17-1)45-18-2-9-27-57(45)74(56)42-37-54-66(72-39-42)67-55(38-43(40-73-67)75-58-28-10-3-19-46(58)47-20-4-11-29-59(47)75)70(54)52-24-15-33-63(76-60-30-12-5-21-48(60)49-22-6-13-31-61(49)76)68(52)78-69-53(70)25-16-34-64(69)77-62-32-14-7-23-50(62)51-35-36-71-41-65(51)77/h1-41H
• InChIKey: XKXLIRJXVQGMNG-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 67.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.15
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The IUPAC name of 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654807) is 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

What is the SMILES notation for 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The canonical SMILES for 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1cc(-n2c3ccccc3c3ccccc32)c2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)cnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc31)c1cccc(-n3c4ccccc4c4ccncc43)c1O2.

What is the InChIKey of 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The InChIKey is XKXLIRJXVQGMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N7O/c1-8-26-56-44(17-1)45-18-2-9-27-57(45)74(56)42-37-54-66(72-39-42)67-55(38-43(40-73-67)75-58-28-10-3-19-46(58)47-20-4-11-29-59(47)75)70(54)52-24-15-33-63(76-60-30-12-5-21-48(60)49-22-6-13-31-61(49)76)68(52)78-69-53(70)25-16-34-64(69)77-62-32-14-7-23-50(62)51-35-36-71-41-65(51)77/h1-41H.

What are the key properties of 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 996.15 g/mol, XLogP of 16.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4',5,11-tri(carbazol-9-yl)-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146654807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).