10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine

C66H46N6 — CID 168836599

About 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine

10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine (PubChem CID 168836599) has the molecular formula C66H46N6 and a molecular weight of 923.14 g/mol. Its IUPAC name is 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
• PubChem CID: 168836599
• Molecular Formula: C66H46N6
• Molecular Weight: 923.14 g/mol
• Exact Mass: 922.38
• IUPAC Name: 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21
• InChI: InChI=1S/C66H46N6/c1-66(2)55-26-12-17-31-61(55)70(62-32-18-13-27-56(62)66)48-37-38-60-54(42-48)53-25-11-16-30-59(53)72(60)50-40-47(39-49(41-50)71-57-28-14-9-23-51(57)52-24-10-15-29-58(52)71)43-33-35-46(36-34-43)65-68-63(44-19-5-3-6-20-44)67-64(69-65)45-21-7-4-8-22-45/h3-42H,1-2H3
• InChIKey: QBSREONSPOIPFE-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.14
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine (CID 168836599) is 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine.

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

The canonical SMILES for 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccccc21.

What is the InChIKey of 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine?

The InChIKey is QBSREONSPOIPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N6/c1-66(2)55-26-12-17-31-61(55)70(62-32-18-13-27-56(62)66)48-37-38-60-54(42-48)53-25-11-16-30-59(53)72(60)50-40-47(39-49(41-50)71-57-28-14-9-23-51(57)52-24-10-15-29-58(52)71)43-33-35-46(36-34-43)65-68-63(44-19-5-3-6-20-44)67-64(69-65)45-21-7-4-8-22-45/h3-42H,1-2H3.

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

10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine has a molecular weight of 923.14 g/mol, XLogP of 16.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 168836599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).