4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C59H35N5OS — CID 146654790

About 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654790) has the molecular formula C59H35N5OS and a molecular weight of 862.03 g/mol. Its IUPAC name is 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• PubChem CID: 146654790
• Molecular Formula: C59H35N5OS
• Molecular Weight: 862.03 g/mol
• Exact Mass: 861.26
• IUPAC Name: 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
• SMILES: c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccccc43)cccc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C59H35N5OS/c1-4-22-45-37(15-1)38-16-2-5-23-46(38)63(45)51-27-11-18-43-57(51)65-58-44(59(43)41-20-13-33-60-55(41)56-42(59)21-14-34-61-56)19-12-28-52(58)64-47-24-6-3-17-39(47)40-35-36(31-32-48(40)64)62-49-25-7-9-29-53(49)66-54-30-10-8-26-50(54)62/h1-35H
• InChIKey: CLSABWGCALAJDE-UHFFFAOYSA-N
• XLogP: 15.07
• TPSA: 48.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.03
LogP ≤ 5	15.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654790) is 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1Oc1c(-n3c4ccccc4c4ccccc43)cccc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

The InChIKey is CLSABWGCALAJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5OS/c1-4-22-45-37(15-1)38-16-2-5-23-46(38)63(45)51-27-11-18-43-57(51)65-58-44(59(43)41-20-13-33-60-55(41)56-42(59)21-14-34-61-56)19-12-28-52(58)64-47-24-6-3-17-39(47)40-35-36(31-32-48(40)64)62-49-25-7-9-29-53(49)66-54-30-10-8-26-50(54)62/h1-35H.

What are the key properties of 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?

4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 862.03 g/mol, XLogP of 15.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 146654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).