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

C45H27N5O — CID 118479991

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

11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 118479991) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• PubChem CID: 118479991
• Molecular Formula: C45H27N5O
• Molecular Weight: 653.75 g/mol
• Exact Mass: 653.22
• IUPAC Name: 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c43)n2)cc1
• InChI: InChI=1S/C45H27N5O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-23-26-40-36(27-30)33-19-9-12-22-39(33)51-40/h1-27H
• InChIKey: XEJSTTGOINKBAZ-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.75
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 118479991) is 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

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

The canonical SMILES for 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c5c43)n2)cc1.

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

The InChIKey is XEJSTTGOINKBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-23-26-40-36(27-30)33-19-9-12-22-39(33)51-40/h1-27H.

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

11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 653.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 118479991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).