2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol

C48H40N2O2S2 — CID 134226012

About 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol

2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol (PubChem CID 134226012) has the molecular formula C48H40N2O2S2 and a molecular weight of 740.99 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol
• PubChem CID: 134226012
• Molecular Formula: C48H40N2O2S2
• Molecular Weight: 740.99 g/mol
• Exact Mass: 740.25
• IUPAC Name: 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol
• SMILES: CSCCSc1c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)cc(C)cc1-c1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O
• InChI: InChI=1S/C48H40N2O2S2/c1-29-25-38(36-23-30(2)27-44(46(36)51)49-40-17-9-5-13-32(40)33-14-6-10-18-41(33)49)48(54-22-21-53-4)39(26-29)37-24-31(3)28-45(47(37)52)50-42-19-11-7-15-34(42)35-16-8-12-20-43(35)50/h5-20,23-28,51-52H,21-22H2,1-4H3
• InChIKey: CAPVQXXWWFOSIM-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 50.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.99
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol (CID 134226012) is 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol?

The canonical SMILES for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol is CSCCSc1c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)cc(C)cc1-c1cc(C)cc(-n2c3ccccc3c3ccccc32)c1O.

What is the InChIKey of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol?

The InChIKey is CAPVQXXWWFOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O2S2/c1-29-25-38(36-23-30(2)27-44(46(36)51)49-40-17-9-5-13-32(40)33-14-6-10-18-41(33)49)48(54-22-21-53-4)39(26-29)37-24-31(3)28-45(47(37)52)50-42-19-11-7-15-34(42)35-16-8-12-20-43(35)50/h5-20,23-28,51-52H,21-22H2,1-4H3.

What are the key properties of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol?

2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol has a molecular weight of 740.99 g/mol, XLogP of 13.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol is sourced from PubChem (CID 134226012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).