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

C57H43N5S — CID 118528525

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

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine (PubChem CID 118528525) has the molecular formula C57H43N5S and a molecular weight of 830.07 g/mol. Its IUPAC name is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine.

Molecular Properties

• Compound Name: 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
• PubChem CID: 118528525
• Molecular Formula: C57H43N5S
• Molecular Weight: 830.07 g/mol
• Exact Mass: 829.32
• IUPAC Name: 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc21
• InChI: InChI=1S/C57H43N5S/c1-56(2)43-16-6-5-15-41(43)42-34-29-38(35-46(42)56)55-59-53(36-25-30-39(31-26-36)61-47-19-9-7-17-44(47)57(3,4)45-18-8-10-20-48(45)61)58-54(60-55)37-27-32-40(33-28-37)62-49-21-11-13-23-51(49)63-52-24-14-12-22-50(52)62/h5-35H,1-4H3
• InChIKey: PNAZWCIUOAIFPE-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 45.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.07
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine (CID 118528525) is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine.

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

The canonical SMILES for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc21.

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

The InChIKey is PNAZWCIUOAIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N5S/c1-56(2)43-16-6-5-15-41(43)42-34-29-38(35-46(42)56)55-59-53(36-25-30-39(31-26-36)61-47-19-9-7-17-44(47)57(3,4)45-18-8-10-20-48(45)61)58-54(60-55)37-27-32-40(33-28-37)62-49-21-11-13-23-51(49)63-52-24-14-12-22-50(52)62/h5-35H,1-4H3.

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

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine has a molecular weight of 830.07 g/mol, XLogP of 15.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 118528525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).