2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol

C53H44N4O4 — CID 147481920

About 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol (PubChem CID 147481920) has the molecular formula C53H44N4O4 and a molecular weight of 800.96 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol
• PubChem CID: 147481920
• Molecular Formula: C53H44N4O4
• Molecular Weight: 800.96 g/mol
• Exact Mass: 800.34
• IUPAC Name: 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol
• SMILES: Cc1cc(-c2cccnc2O[C@@H](C)C[C@H](C)Oc2ncccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C53H44N4O4/c1-32-27-42(50(58)48(29-32)56-44-21-9-5-15-36(44)37-16-6-10-22-45(37)56)40-19-13-25-54-52(40)60-34(3)31-35(4)61-53-41(20-14-26-55-53)43-28-33(2)30-49(51(43)59)57-46-23-11-7-17-38(46)39-18-8-12-24-47(39)57/h5-30,34-35,58-59H,31H2,1-4H3/t34-,35-/m0/s1
• InChIKey: FDUYSGHETLYUHH-PXLJZGITSA-N
• XLogP: 12.66
• TPSA: 94.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.96
LogP ≤ 5	12.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol (CID 147481920) is 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol?

The canonical SMILES for 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol is Cc1cc(-c2cccnc2O[C@@H](C)C[C@H](C)Oc2ncccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol?

The InChIKey is FDUYSGHETLYUHH-PXLJZGITSA-N. The full InChI is InChI=1S/C53H44N4O4/c1-32-27-42(50(58)48(29-32)56-44-21-9-5-15-36(44)37-16-6-10-22-45(37)56)40-19-13-25-54-52(40)60-34(3)31-35(4)61-53-41(20-14-26-55-53)43-28-33(2)30-49(51(43)59)57-46-23-11-7-17-38(46)39-18-8-12-24-47(39)57/h5-30,34-35,58-59H,31H2,1-4H3/t34-,35-/m0/s1.

What are the key properties of 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol?

2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol has a molecular weight of 800.96 g/mol, XLogP of 12.66, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol is sourced from PubChem (CID 147481920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).