9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

C57H37N5 — CID 168742588

About 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (PubChem CID 168742588) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
• PubChem CID: 168742588
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1
• InChI: InChI=1S/C57H37N5/c1-4-16-38(17-5-1)43-32-34-49-50-35-33-44(39-18-6-2-7-19-39)37-54(50)62(53(49)36-43)57-59-55(58-56(60-57)61-51-26-14-12-24-47(51)48-25-13-15-27-52(48)61)42-30-28-41(29-31-42)46-23-11-10-22-45(46)40-20-8-3-9-21-40/h1-37H
• InChIKey: BXZLFFSFKVFMMG-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?

The IUPAC name of 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (CID 168742588) is 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.

What is the SMILES notation for 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?

The canonical SMILES for 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)nc(-n5c6ccccc6c6ccccc65)n4)c3c2)cc1.

What is the InChIKey of 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?

The InChIKey is BXZLFFSFKVFMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-16-38(17-5-1)43-32-34-49-50-35-33-44(39-18-6-2-7-19-39)37-54(50)62(53(49)36-43)57-59-55(58-56(60-57)61-51-26-14-12-24-47(51)48-25-13-15-27-52(48)61)42-30-28-41(29-31-42)46-23-11-10-22-45(46)40-20-8-3-9-21-40/h1-37H.

What are the key properties of 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?

9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 168742588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).