5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol

C60H46N4O4 — CID 162769999

About 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol

5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 162769999) has the molecular formula C60H46N4O4 and a molecular weight of 887.05 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
• PubChem CID: 162769999
• Molecular Formula: C60H46N4O4
• Molecular Weight: 887.05 g/mol
• Exact Mass: 886.35
• IUPAC Name: 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
• SMILES: Cc1cc(N2c3ccccc3Oc3ccccc32)cc(C)c1-c1ccc(/C=N/c2ccccc2/N=C/c2ccc(-c3c(C)cc(N4c5ccccc5Oc5ccccc54)cc3C)cc2O)c(O)c1
• InChI: InChI=1S/C60H46N4O4/c1-37-29-45(63-49-17-7-11-21-55(49)67-56-22-12-8-18-50(56)63)30-38(2)59(37)41-25-27-43(53(65)33-41)35-61-47-15-5-6-16-48(47)62-36-44-28-26-42(34-54(44)66)60-39(3)31-46(32-40(60)4)64-51-19-9-13-23-57(51)68-58-24-14-10-20-52(58)64/h5-36,65-66H,1-4H3/b61-35+,62-36+
• InChIKey: DZAZNVTVMVNJRT-FICITMKSSA-N
• XLogP: 16.32
• TPSA: 90.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.05
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol?

The IUPAC name of 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol (CID 162769999) is 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol.

What is the SMILES notation for 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol?

The canonical SMILES for 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol is Cc1cc(N2c3ccccc3Oc3ccccc32)cc(C)c1-c1ccc(/C=N/c2ccccc2/N=C/c2ccc(-c3c(C)cc(N4c5ccccc5Oc5ccccc54)cc3C)cc2O)c(O)c1.

What is the InChIKey of 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol?

The InChIKey is DZAZNVTVMVNJRT-FICITMKSSA-N. The full InChI is InChI=1S/C60H46N4O4/c1-37-29-45(63-49-17-7-11-21-55(49)67-56-22-12-8-18-50(56)63)30-38(2)59(37)41-25-27-43(53(65)33-41)35-61-47-15-5-6-16-48(47)62-36-44-28-26-42(34-54(44)66)60-39(3)31-46(32-40(60)4)64-51-19-9-13-23-57(51)68-58-24-14-10-20-52(58)64/h5-36,65-66H,1-4H3/b61-35+,62-36+.

What are the key properties of 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol?

5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 887.05 g/mol, XLogP of 16.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-[[2-[[4-(2,6-dimethyl-4-phenoxazin-10-ylphenyl)-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 162769999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).