11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole

C57H36N6 — CID 169014141

About 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 169014141) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
• PubChem CID: 169014141
• Molecular Formula: C57H36N6
• Molecular Weight: 804.96 g/mol
• Exact Mass: 804.30
• IUPAC Name: 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C57H36N6/c1-3-15-37(16-4-1)38-27-29-39(30-28-38)55-58-56(60-57(59-55)63-51-25-13-7-19-43(51)44-20-8-14-26-52(44)63)40-31-33-42(34-32-40)62-50-24-12-10-22-46(50)48-35-53-47(36-54(48)62)45-21-9-11-23-49(45)61(53)41-17-5-2-6-18-41/h1-36H
• InChIKey: UZAHVWXLABGSJF-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.96
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?

The IUPAC name of 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole (CID 169014141) is 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.

What is the InChIKey of 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?

The InChIKey is UZAHVWXLABGSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-3-15-37(16-4-1)38-27-29-39(30-28-38)55-58-56(60-57(59-55)63-51-25-13-7-19-43(51)44-20-8-14-26-52(44)63)40-31-33-42(34-32-40)62-50-24-12-10-22-46(50)48-35-53-47(36-54(48)62)45-21-9-11-23-49(45)61(53)41-17-5-2-6-18-41/h1-36H.

What are the key properties of 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?

11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 169014141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).