carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum

C47H51N2O2Pt- — CID 155610114

About carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum

carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (PubChem CID 155610114) has the molecular formula C47H51N2O2Pt- and a molecular weight of 871.01 g/mol. Its IUPAC name is carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.

Molecular Properties

• Compound Name: carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
• PubChem CID: 155610114
• Molecular Formula: C47H51N2O2Pt-
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.36
• IUPAC Name: carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cccc(/C=N/c3cccc4cc(-c5c(C(C)C)cccc5C(C)C)cc(O)c34)n2)c(O)c1.[CH3-].[Pt]
• InChI: InChI=1S/C46H48N2O2.CH3.Pt/c1-27(2)35-15-11-16-36(28(3)4)44(35)32-21-22-39(42(49)24-32)40-19-10-14-34(48-40)26-47-41-20-9-13-31-23-33(25-43(50)46(31)41)45-37(29(5)6)17-12-18-38(45)30(7)8;;/h9-30,49-50H,1-8H3;1H3;/q;-1;/b47-26+
• InChIKey: DXVLVXPGALYUEF-PORWEGJKSA-N
• XLogP: 13.34
• TPSA: 65.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?

The IUPAC name of carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum (CID 155610114) is carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum.

What is the SMILES notation for carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?

The canonical SMILES for carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is CC(C)c1cccc(C(C)C)c1-c1ccc(-c2cccc(/C=N/c3cccc4cc(-c5c(C(C)C)cccc5C(C)C)cc(O)c34)n2)c(O)c1.[CH3-].[Pt].

What is the InChIKey of carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?

The InChIKey is DXVLVXPGALYUEF-PORWEGJKSA-N. The full InChI is InChI=1S/C46H48N2O2.CH3.Pt/c1-27(2)35-15-11-16-36(28(3)4)44(35)32-21-22-39(42(49)24-32)40-19-10-14-34(48-40)26-47-41-20-9-13-31-23-33(25-43(50)46(31)41)45-37(29(5)6)17-12-18-38(45)30(7)8;;/h9-30,49-50H,1-8H3;1H3;/q;-1;/b47-26+;;.

What are the key properties of carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum?

carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum has a molecular weight of 871.01 g/mol, XLogP of 13.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-[2,6-di(propan-2-yl)phenyl]-8-[[6-[4-[2,6-di(propan-2-yl)phenyl]-2-hydroxyphenyl]-2-pyridinyl]methylideneamino]naphthalen-1-ol;platinum is sourced from PubChem (CID 155610114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).