5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

C43H33N5 — CID 170007620

About 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 170007620) has the molecular formula C43H33N5 and a molecular weight of 619.77 g/mol. Its IUPAC name is 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 170007620
• Molecular Formula: C43H33N5
• Molecular Weight: 619.77 g/mol
• Exact Mass: 619.27
• IUPAC Name: 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
• SMILES: CC(C)(C)c1nc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)n1
• InChI: InChI=1S/C43H33N5/c1-43(2,3)42-45-40(28-16-6-4-7-17-28)44-41(46-42)32-22-12-15-25-37(32)48-36-24-14-11-21-31(36)34-26-33-30-20-10-13-23-35(30)47(38(33)27-39(34)48)29-18-8-5-9-19-29/h4-27H,1-3H3
• InChIKey: QTMCYEWOHMZZJC-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.77
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 170007620) is 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is CC(C)(C)c1nc(-c2ccccc2)nc(-c2ccccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)n1.

What is the InChIKey of 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is QTMCYEWOHMZZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5/c1-43(2,3)42-45-40(28-16-6-4-7-17-28)44-41(46-42)32-22-12-15-25-37(32)48-36-24-14-11-21-31(36)34-26-33-30-20-10-13-23-35(30)47(38(33)27-39(34)48)29-18-8-5-9-19-29/h4-27H,1-3H3.

What are the key properties of 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?

5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 619.77 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 170007620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).