2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C59H40N6O — CID 168803005

About 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168803005) has the molecular formula C59H40N6O and a molecular weight of 849.01 g/mol. Its IUPAC name is 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 168803005
• Molecular Formula: C59H40N6O
• Molecular Weight: 849.01 g/mol
• Exact Mass: 848.33
• IUPAC Name: 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)Oc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc21
• InChI: InChI=1S/C59H40N6O/c1-59(2)51-24-14-13-23-48(51)49-32-29-43(36-52(49)66-59)47-31-30-46(35-50(47)58-64-53(39-17-5-3-6-18-39)60-54(65-58)40-19-7-4-8-20-40)57-62-55(44-27-25-37-15-9-11-21-41(37)33-44)61-56(63-57)45-28-26-38-16-10-12-22-42(38)34-45/h3-36H,1-2H3
• InChIKey: PAYVZUKDTCESHC-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 86.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.01
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168803005) is 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)Oc2cc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc21.

What is the InChIKey of 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is PAYVZUKDTCESHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N6O/c1-59(2)51-24-14-13-23-48(51)49-32-29-43(36-52(49)66-59)47-31-30-46(35-50(47)58-64-53(39-17-5-3-6-18-39)60-54(65-58)40-19-7-4-8-20-40)57-62-55(44-27-25-37-15-9-11-21-41(37)33-44)61-56(63-57)45-28-26-38-16-10-12-22-42(38)34-45/h3-36H,1-2H3.

What are the key properties of 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?

2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 849.01 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168803005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).