carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)

C60H60N2O4Zr — CID 58276179

About carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)

carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+) (PubChem CID 58276179) has the molecular formula C60H60N2O4Zr and a molecular weight of 964.37 g/mol. Its IUPAC name is carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+).

Molecular Properties

• Compound Name: carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)
• PubChem CID: 58276179
• Molecular Formula: C60H60N2O4Zr
• Molecular Weight: 964.37 g/mol
• Exact Mass: 962.36
• IUPAC Name: carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)
• SMILES: Cc1cc(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C)cc(-n3c4c(c5ccccc53)=CCCC=4)c2O)c(O)c(-n2c3c(c4ccccc42)=CCCC=3)c1.[CH3-].[CH3-].[Zr+2]
• InChI: InChI=1S/C58H54N2O4.2CH3.Zr/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60;;;/h5,7,9-11,13,15-16,19-34,39-40,61-62H,3-4,6,8,12,14,17-18,35-36H2,1-2H3;2*1H3;/q;2*-1;+2
• InChIKey: IAOHKUCCEYZQMV-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.37
LogP ≤ 5	11.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)?

The IUPAC name of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+) (CID 58276179) is carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+).

What is the SMILES notation for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)?

The canonical SMILES for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+) is Cc1cc(-c2ccccc2OCC2CCCCC2COc2ccccc2-c2cc(C)cc(-n3c4c(c5ccccc53)=CCCC=4)c2O)c(O)c(-n2c3c(c4ccccc42)=CCCC=3)c1.[CH3-].[CH3-].[Zr+2].

What is the InChIKey of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)?

The InChIKey is IAOHKUCCEYZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2O4.2CH3.Zr/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60;;;/h5,7,9-11,13,15-16,19-34,39-40,61-62H,3-4,6,8,12,14,17-18,35-36H2,1-2H3;2*1H3;/q;2*-1;+2.

What are the key properties of carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)?

carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+) has a molecular weight of 964.37 g/mol, XLogP of 11.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+) is sourced from PubChem (CID 58276179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).