5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine

C125H77ClN14O2S2 — CID 167588765

About 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine

5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine (PubChem CID 167588765) has the molecular formula C125H77ClN14O2S2 and a molecular weight of 1906.67 g/mol. Its IUPAC name is 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 167588765
• Molecular Formula: C125H77ClN14O2S2
• Molecular Weight: 1906.67 g/mol
• Exact Mass: 1904.55
• IUPAC Name: 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine
• SMILES: Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1ccc2c(n1)-c1ncccc1C21c2ccccc2Oc2c1ccc1c2Sc2ccccc2N1c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Oc4c3ccc3c4Sc4ccccc4N3c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C62H37N7OS.C47H27ClN4OS.C16H13N3/c1-3-17-38(18-4-1)59-65-60(39-19-5-2-6-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(26-16-36-63-55)62(46)44-25-9-13-30-53(44)70-57-47(62)33-35-52-58(57)71-54-31-14-12-29-51(54)69(52)41-22-15-21-40(37-41)68-49-27-10-7-23-42(49)43-24-8-11-28-50(43)68;48-42-25-23-34-44(50-42)43-33(16-10-26-49-43)47(34)32-15-3-7-20-40(32)53-45-35(47)22-24-39-46(45)54-41-21-8-6-19-38(41)52(39)29-12-9-11-28(27-29)51-36-17-4-1-13-30(36)31-14-2-5-18-37(31)51;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14/h1-37H;1-27H;2-11H,1H3
• InChIKey: IDNHKBPMWOYXGG-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 163.70 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.67
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine (CID 167588765) is 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine is Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1ccc2c(n1)-c1ncccc1C21c2ccccc2Oc2c1ccc1c2Sc2ccccc2N1c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Oc4c3ccc3c4Sc4ccccc4N3c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

What is the InChIKey of 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine?

The InChIKey is IDNHKBPMWOYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N7OS.C47H27ClN4OS.C16H13N3/c1-3-17-38(18-4-1)59-65-60(39-19-5-2-6-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(26-16-36-63-55)62(46)44-25-9-13-30-53(44)70-57-47(62)33-35-52-58(57)71-54-31-14-12-29-51(54)69(52)41-22-15-21-40(37-41)68-49-27-10-7-23-42(49)43-24-8-11-28-50(43)68;48-42-25-23-34-44(50-42)43-33(16-10-26-49-43)47(34)32-15-3-7-20-40(32)53-45-35(47)22-24-39-46(45)54-41-21-8-6-19-38(41)52(39)29-12-9-11-28(27-29)51-36-17-4-1-13-30(36)31-14-2-5-18-37(31)51;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14/h1-37H;1-27H;2-11H,1H3.

What are the key properties of 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine?

5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1906.67 g/mol, XLogP of 31.31, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(3-carbazol-9-ylphenyl)-4-chlorospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];5'-(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenothiazine];2-methyl-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167588765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).