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

C51H34N6 — CID 123849393

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

11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole (PubChem CID 123849393) has the molecular formula C51H34N6 and a molecular weight of 730.88 g/mol. Its IUPAC name is 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
• PubChem CID: 123849393
• Molecular Formula: C51H34N6
• Molecular Weight: 730.88 g/mol
• Exact Mass: 730.28
• IUPAC Name: 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
• SMILES: C1=CC2c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4c3N(c3ccccc3)C2C=C1
• InChI: InChI=1S/C51H34N6/c1-3-16-33(17-4-1)49-52-50(34-18-15-21-36(32-34)55-43-26-11-7-22-37(43)38-23-8-12-27-44(38)55)54-51(53-49)57-46-29-14-10-25-40(46)42-31-30-41-39-24-9-13-28-45(39)56(47(41)48(42)57)35-19-5-2-6-20-35/h1-32,39,45H
• InChIKey: ZMOKBLRIROYHJM-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.88
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole (CID 123849393) is 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole.

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

The canonical SMILES for 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4c3N(c3ccccc3)C2C=C1.

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

The InChIKey is ZMOKBLRIROYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6/c1-3-16-33(17-4-1)49-52-50(34-18-15-21-36(32-34)55-43-26-11-7-22-37(43)38-23-8-12-27-44(38)55)54-51(53-49)57-46-29-14-10-25-40(46)42-31-30-41-39-24-9-13-28-45(39)56(47(41)48(42)57)35-19-5-2-6-20-35/h1-32,39,45H.

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

11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole has a molecular weight of 730.88 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 123849393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).