11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

C57H34N6O — CID 170268393

About 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 170268393) has the molecular formula C57H34N6O and a molecular weight of 818.94 g/mol. Its IUPAC name is 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• PubChem CID: 170268393
• Molecular Formula: C57H34N6O
• Molecular Weight: 818.94 g/mol
• Exact Mass: 818.28
• IUPAC Name: 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5c43)n2)cc1
• InChI: InChI=1S/C57H34N6O/c1-2-15-35(16-3-1)55-58-56(36-29-32-52-46(33-36)43-23-8-13-28-51(43)64-52)60-57(59-55)63-50-27-12-7-22-42(50)45-31-30-44-41-21-6-11-26-49(41)62(53(44)54(45)63)38-18-14-17-37(34-38)61-47-24-9-4-19-39(47)40-20-5-10-25-48(40)61/h1-34H
• InChIKey: YBUTYDTUTCHBRO-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 66.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.94
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The IUPAC name of 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 170268393) is 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The canonical SMILES for 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-n7c8ccccc8c8ccccc87)c6)c5c43)n2)cc1.

What is the InChIKey of 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The InChIKey is YBUTYDTUTCHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6O/c1-2-15-35(16-3-1)55-58-56(36-29-32-52-46(33-36)43-23-8-13-28-51(43)64-52)60-57(59-55)63-50-27-12-7-22-42(50)45-31-30-44-41-21-6-11-26-49(41)62(53(44)54(45)63)38-18-14-17-37(34-38)61-47-24-9-4-19-39(47)40-20-5-10-25-48(40)61/h1-34H.

What are the key properties of 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 818.94 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(3-carbazol-9-ylphenyl)-12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 170268393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).