10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine

C64H44N6S — CID 163451775

About 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine

10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine (PubChem CID 163451775) has the molecular formula C64H44N6S and a molecular weight of 929.17 g/mol. Its IUPAC name is 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine.

Molecular Properties

• Compound Name: 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine
• PubChem CID: 163451775
• Molecular Formula: C64H44N6S
• Molecular Weight: 929.17 g/mol
• Exact Mass: 928.33
• IUPAC Name: 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6N(c6ccc7ccccc7c6)c6cc(N7c8ccccc8Sc8ccccc87)ccc65)cc4)n3)cc21
• InChI: InChI=1S/C64H44N6S/c1-64(2)51-21-9-8-20-49(51)50-36-31-45(39-52(50)64)63-66-61(42-17-4-3-5-18-42)65-62(67-63)43-29-32-46(33-30-43)68-53-22-10-11-23-54(53)69(47-34-28-41-16-6-7-19-44(41)38-47)58-40-48(35-37-55(58)68)70-56-24-12-14-26-59(56)71-60-27-15-13-25-57(60)70/h3-40H,1-2H3
• InChIKey: BHFHAIPVDWAVGS-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 48.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.17
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine?

The IUPAC name of 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine (CID 163451775) is 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine.

What is the SMILES notation for 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine?

The canonical SMILES for 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6N(c6ccc7ccccc7c6)c6cc(N7c8ccccc8Sc8ccccc87)ccc65)cc4)n3)cc21.

What is the InChIKey of 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine?

The InChIKey is BHFHAIPVDWAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N6S/c1-64(2)51-21-9-8-20-49(51)50-36-31-45(39-52(50)64)63-66-61(42-17-4-3-5-18-42)65-62(67-63)43-29-32-46(33-30-43)68-53-22-10-11-23-54(53)69(47-34-28-41-16-6-7-19-44(41)38-47)58-40-48(35-37-55(58)68)70-56-24-12-14-26-59(56)71-60-27-15-13-25-57(60)70/h3-40H,1-2H3.

What are the key properties of 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine?

10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine has a molecular weight of 929.17 g/mol, XLogP of 17.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[5-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-naphthalen-2-ylphenazin-2-yl]phenothiazine is sourced from PubChem (CID 163451775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).