10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

C55H34N8 — CID 90091048

About 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (PubChem CID 90091048) has the molecular formula C55H34N8 and a molecular weight of 806.93 g/mol. Its IUPAC name is 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
• PubChem CID: 90091048
• Molecular Formula: C55H34N8
• Molecular Weight: 806.93 g/mol
• Exact Mass: 806.29
• IUPAC Name: 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
• SMILES: c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1
• InChI: InChI=1S/C55H34N8/c1-3-15-37(16-4-1)59-33-31-35-27-29-43-41-21-9-13-25-47(41)62(51(43)49(35)59)54-56-53(61-45-23-11-7-19-39(45)40-20-8-12-24-46(40)61)57-55(58-54)63-48-26-14-10-22-42(48)44-30-28-36-32-34-60(50(36)52(44)63)38-17-5-2-6-18-38/h1-34H
• InChIKey: MWAWQSXGKGCLQV-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 63.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (CID 90091048) is 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.

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

The canonical SMILES for 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)n5)c4c32)cc1.

What is the InChIKey of 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?

The InChIKey is MWAWQSXGKGCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N8/c1-3-15-37(16-4-1)59-33-31-35-27-29-43-41-21-9-13-25-47(41)62(51(43)49(35)59)54-56-53(61-45-23-11-7-19-39(45)40-20-8-12-24-46(40)61)57-55(58-54)63-48-26-14-10-22-42(48)44-30-28-36-32-34-60(50(36)52(44)63)38-17-5-2-6-18-38/h1-34H.

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

10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 806.93 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-carbazol-9-yl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90091048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).