2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol

C55H44N2O4 — CID 21030278

About 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol (PubChem CID 21030278) has the molecular formula C55H44N2O4 and a molecular weight of 796.97 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol
• PubChem CID: 21030278
• Molecular Formula: C55H44N2O4
• Molecular Weight: 796.97 g/mol
• Exact Mass: 796.33
• IUPAC Name: 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol
• SMILES: Cc1cc(-c2ccccc2OC2CCCC2Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C55H44N2O4/c1-34-30-42(54(58)48(32-34)56-44-22-9-3-16-36(44)37-17-4-10-23-45(37)56)40-20-7-13-26-50(40)60-52-28-15-29-53(52)61-51-27-14-8-21-41(51)43-31-35(2)33-49(55(43)59)57-46-24-11-5-18-38(46)39-19-6-12-25-47(39)57/h3-14,16-27,30-33,52-53,58-59H,15,28-29H2,1-2H3
• InChIKey: VPVRWZCOKQVKEP-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.97
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol?

The IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol (CID 21030278) is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol?

The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol is Cc1cc(-c2ccccc2OC2CCCC2Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol?

The InChIKey is VPVRWZCOKQVKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2O4/c1-34-30-42(54(58)48(32-34)56-44-22-9-3-16-36(44)37-17-4-10-23-45(37)56)40-20-7-13-26-50(40)60-52-28-15-29-53(52)61-51-27-14-8-21-41(51)43-31-35(2)33-49(55(43)59)57-46-24-11-5-18-38(46)39-19-6-12-25-47(39)57/h3-14,16-27,30-33,52-53,58-59H,15,28-29H2,1-2H3.

What are the key properties of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol?

2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol has a molecular weight of 796.97 g/mol, XLogP of 13.62, 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-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol is sourced from PubChem (CID 21030278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).