3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

C35H21N3S — CID 146656168

About 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]

3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (PubChem CID 146656168) has the molecular formula C35H21N3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].

Molecular Properties

• Compound Name: 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
• PubChem CID: 146656168
• Molecular Formula: C35H21N3S
• Molecular Weight: 515.64 g/mol
• Exact Mass: 515.15
• IUPAC Name: 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]
• SMILES: c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21
• InChI: InChI=1S/C35H21N3S/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-26-32(21-22)39-31-16-6-3-11-25(31)35(26)27-12-7-19-36-33(27)34-28(35)13-8-20-37-34/h1-21H
• InChIKey: UCRCIVZFCWSJNM-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.64
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The IUPAC name of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] (CID 146656168) is 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene].

What is the SMILES notation for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The canonical SMILES for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is c1ccc2c(c1)Sc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2cccnc2-c2ncccc21.

What is the InChIKey of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

The InChIKey is UCRCIVZFCWSJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3S/c1-4-14-29-23(9-1)24-10-2-5-15-30(24)38(29)22-17-18-26-32(21-22)39-31-16-6-3-11-25(31)35(26)27-12-7-19-36-33(27)34-28(35)13-8-20-37-34/h1-21H.

What are the key properties of 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene]?

3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] has a molecular weight of 515.64 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-thioxanthene] is sourced from PubChem (CID 146656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).