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

C72H56N6O2 — CID 162770013

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

5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 162770013) has the molecular formula C72H56N6O2 and a molecular weight of 1037.28 g/mol. Its IUPAC name is 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
• PubChem CID: 162770013
• Molecular Formula: C72H56N6O2
• Molecular Weight: 1037.28 g/mol
• Exact Mass: 1036.45
• IUPAC Name: 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
• SMILES: Cc1cc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc(C)c1-c1ccc(/C=N/c2ccccc2/N=C/c2ccc(-c3c(C)cc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3C)cc2O)c(O)c1
• InChI: InChI=1S/C72H56N6O2/c1-47-39-57(77-65-31-17-13-27-61(65)75(55-21-7-5-8-22-55)62-28-14-18-32-66(62)77)40-48(2)71(47)51-35-37-53(69(79)43-51)45-73-59-25-11-12-26-60(59)74-46-54-38-36-52(44-70(54)80)72-49(3)41-58(42-50(72)4)78-67-33-19-15-29-63(67)76(56-23-9-6-10-24-56)64-30-16-20-34-68(64)78/h5-46,79-80H,1-4H3/b73-45+,74-46+
• InChIKey: JGJRTNBMGHTFIP-DUZYZXLKSA-N
• XLogP: 19.67
• TPSA: 78.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.28
LogP ≤ 5	19.67
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-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol?

The IUPAC name of 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol (CID 162770013) is 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol.

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

The canonical SMILES for 5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol is Cc1cc(N2c3ccccc3N(c3ccccc3)c3ccccc32)cc(C)c1-c1ccc(/C=N/c2ccccc2/N=C/c2ccc(-c3c(C)cc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3C)cc2O)c(O)c1.

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

The InChIKey is JGJRTNBMGHTFIP-DUZYZXLKSA-N. The full InChI is InChI=1S/C72H56N6O2/c1-47-39-57(77-65-31-17-13-27-61(65)75(55-21-7-5-8-22-55)62-28-14-18-32-66(62)77)40-48(2)71(47)51-35-37-53(69(79)43-51)45-73-59-25-11-12-26-60(59)74-46-54-38-36-52(44-70(54)80)72-49(3)41-58(42-50(72)4)78-67-33-19-15-29-63(67)76(56-23-9-6-10-24-56)64-30-16-20-34-68(64)78/h5-46,79-80H,1-4H3/b73-45+,74-46+.

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

5-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 1037.28 g/mol, XLogP of 19.67, 10 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-(10-phenylphenazin-5-yl)phenyl]-2-[[2-[[4-[2,6-dimethyl-4-(10-phenylphenazin-5-yl)phenyl]-2-hydroxyphenyl]methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 162770013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).