4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

C59H42N4 — CID 137437896

About 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline

4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (PubChem CID 137437896) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• PubChem CID: 137437896
• Molecular Formula: C59H42N4
• Molecular Weight: 807.01 g/mol
• Exact Mass: 806.34
• IUPAC Name: 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4cc(C5=NC(c6cccc7ccccc67)=NC(c6cccc7ccccc67)N5)cc(-c5ccccc5)c4)cc(-c4ccccc4)nc3cc21
• InChI: InChI=1S/C59H42N4/c1-59(2)52-30-14-13-27-46(52)50-34-51-49(35-54(40-21-7-4-8-22-40)60-55(51)36-53(50)59)42-31-41(37-17-5-3-6-18-37)32-43(33-42)56-61-57(47-28-15-23-38-19-9-11-25-44(38)47)63-58(62-56)48-29-16-24-39-20-10-12-26-45(39)48/h3-36,57H,1-2H3,(H,61,62,63)
• InChIKey: VECUXBOXODYBJJ-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.01
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The IUPAC name of 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline (CID 137437896) is 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline.

What is the SMILES notation for 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The canonical SMILES for 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4cc(C5=NC(c6cccc7ccccc67)=NC(c6cccc7ccccc67)N5)cc(-c5ccccc5)c4)cc(-c4ccccc4)nc3cc21.

What is the InChIKey of 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

The InChIKey is VECUXBOXODYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-59(2)52-30-14-13-27-46(52)50-34-51-49(35-54(40-21-7-4-8-22-40)60-55(51)36-53(50)59)42-31-41(37-17-5-3-6-18-37)32-43(33-42)56-61-57(47-28-15-23-38-19-9-11-25-44(38)47)63-58(62-56)48-29-16-24-39-20-10-12-26-45(39)48/h3-36,57H,1-2H3,(H,61,62,63).

What are the key properties of 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline?

4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline has a molecular weight of 807.01 g/mol, XLogP of 14.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-10,10-dimethyl-2-phenylindeno[1,2-g]quinoline is sourced from PubChem (CID 137437896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).