10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine

C144H96N18O2S2 — CID 158328207

About 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 158328207) has the molecular formula C144H96N18O2S2 and a molecular weight of 2174.61 g/mol. Its IUPAC name is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
• PubChem CID: 158328207
• Molecular Formula: C144H96N18O2S2
• Molecular Weight: 2174.61 g/mol
• Exact Mass: 2172.74
• IUPAC Name: 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
• SMILES: [C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/C49H34N6O.C49H34N6S.C46H28N6OS/c2*1-49(2)38-12-4-6-14-40(38)54(41-15-7-5-13-39(41)49)36-28-22-33(23-29-36)47-51-46(32-20-26-35(50-3)27-21-32)52-48(53-47)34-24-30-37(31-25-34)55-42-16-8-10-18-44(42)56-45-19-11-9-17-43(45)55;1-47-33-24-18-30(19-25-33)44-48-45(31-20-26-34(27-21-31)51-36-10-2-6-14-40(36)53-41-15-7-3-11-37(41)51)50-46(49-44)32-22-28-35(29-23-32)52-38-12-4-8-16-42(38)54-43-17-9-5-13-39(43)52/h2*4-31H,1-2H3;2-29H
• InChIKey: GPRFHZZMAUNCBL-UHFFFAOYSA-N
• XLogP: 39.51
• TPSA: 166.99 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.61
LogP ≤ 5	39.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 158328207) is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is [C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)n2)cc1.

What is the InChIKey of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The InChIKey is GPRFHZZMAUNCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N6O.C49H34N6S.C46H28N6OS/c2*1-49(2)38-12-4-6-14-40(38)54(41-15-7-5-13-39(41)49)36-28-22-33(23-29-36)47-51-46(32-20-26-35(50-3)27-21-32)52-48(53-47)34-24-30-37(31-25-34)55-42-16-8-10-18-44(42)56-45-19-11-9-17-43(45)55;1-47-33-24-18-30(19-25-33)44-48-45(31-20-26-34(27-21-31)51-36-10-2-6-14-40(36)53-41-15-7-3-11-37(41)51)50-46(49-44)32-22-28-35(29-23-32)52-38-12-4-8-16-42(38)54-43-17-9-5-13-39(43)52/h2*4-31H,1-2H3;2-29H.

What are the key properties of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine?

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 2174.61 g/mol, XLogP of 39.51, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 158328207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).