10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

C57H39N7O2 — CID 168802896

About 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine

10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (PubChem CID 168802896) has the molecular formula C57H39N7O2 and a molecular weight of 853.99 g/mol. Its IUPAC name is 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
• PubChem CID: 168802896
• Molecular Formula: C57H39N7O2
• Molecular Weight: 853.99 g/mol
• Exact Mass: 853.32
• IUPAC Name: 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
• SMILES: CC1(C)Oc2cc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C57H39N7O2/c1-57(2)45-34-40(55-60-51(36-16-6-3-7-17-36)58-52(61-55)37-18-8-4-9-19-37)28-32-43(45)44-33-29-41(35-50(44)66-57)56-62-53(38-20-10-5-11-21-38)59-54(63-56)39-26-30-42(31-27-39)64-46-22-12-14-24-48(46)65-49-25-15-13-23-47(49)64/h3-35H,1-2H3
• InChIKey: VQTICFDSHLDLDF-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 99.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.99
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The IUPAC name of 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine (CID 168802896) is 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine.

What is the SMILES notation for 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The canonical SMILES for 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is CC1(C)Oc2cc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)n3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.

What is the InChIKey of 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?

The InChIKey is VQTICFDSHLDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N7O2/c1-57(2)45-34-40(55-60-51(36-16-6-3-7-17-36)58-52(61-55)37-18-8-4-9-19-37)28-32-43(45)44-33-29-41(35-50(44)66-57)56-62-53(38-20-10-5-11-21-38)59-54(63-56)39-26-30-42(31-27-39)64-46-22-12-14-24-48(46)65-49-25-15-13-23-47(49)64/h3-35H,1-2H3.

What are the key properties of 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine?

10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine has a molecular weight of 853.99 g/mol, XLogP of 13.93, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-dimethylbenzo[c]chromen-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 168802896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).