5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]

C56H34N6S2 — CID 165162626

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine] (PubChem CID 165162626) has the molecular formula C56H34N6S2 and a molecular weight of 855.06 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine].

Molecular Properties

• Compound Name: 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]
• PubChem CID: 165162626
• Molecular Formula: C56H34N6S2
• Molecular Weight: 855.06 g/mol
• Exact Mass: 854.23
• IUPAC Name: 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cnc4c(c3)C3(c5ccccc5Sc5c3ccc3c5Sc5ccccc5N3c3ccccc3)c3cccnc3-4)n2)cc1
• InChI: InChI=1S/C56H34N6S2/c1-4-17-35(18-5-1)53-59-54(36-19-6-2-7-20-36)61-55(60-53)40-24-11-10-23-39(40)37-33-44-50(58-34-37)49-42(26-16-32-57-49)56(44)41-25-12-14-28-47(41)63-51-43(56)30-31-46-52(51)64-48-29-15-13-27-45(48)62(46)38-21-8-3-9-22-38/h1-34H
• InChIKey: LUZXXQWESVJWLR-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 67.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.06
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]?

The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine] (CID 165162626) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine].

What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]?

The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cnc4c(c3)C3(c5ccccc5Sc5c3ccc3c5Sc5ccccc5N3c3ccccc3)c3cccnc3-4)n2)cc1.

What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]?

The InChIKey is LUZXXQWESVJWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N6S2/c1-4-17-35(18-5-1)53-59-54(36-19-6-2-7-20-36)61-55(60-53)40-24-11-10-23-39(40)37-33-44-50(58-34-37)49-42(26-16-32-57-49)56(44)41-25-12-14-28-47(41)63-51-43(56)30-31-46-52(51)64-48-29-15-13-27-45(48)62(46)38-21-8-3-9-22-38/h1-34H.

What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine]?

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine] has a molecular weight of 855.06 g/mol, XLogP of 14.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenothiazine] is sourced from PubChem (CID 165162626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).