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

C55H46N2O4 — CID 58649310

IUPAC2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC(C)C[C@@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C55H46N2O4/c1-34-29-44(54(58)50(31-34)56-46-23-11-5-17-38(46)39-18-6-12-24-47(39)56)42-21-9-15-27-52(42)60-36(3)33-37(4)61-53-28-16-10-22-43(53)45-30-35(2)32-51(55(45)59)57-48-25-13-7-19-40(48)41-20-8-14-26-49(41)57/h5-32,36-37,58-59H,33H2,1-4H3/t36-,37?/m1/s1
InChIKeyARYGEYDQRDUPAI-RKROREJRSA-N
MW798.98 g/mol
LogP13.87
Rot. Bonds10

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

2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol (PubChem CID 58649310) has the molecular formula C55H46N2O4 and a molecular weight of 798.98 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
PubChem CID58649310
Molecular FormulaC55H46N2O4
Molecular Weight798.98 g/mol
Exact Mass798.35
IUPAC Name2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC(C)C[C@@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C55H46N2O4/c1-34-29-44(54(58)50(31-34)56-46-23-11-5-17-38(46)39-18-6-12-24-47(39)56)42-21-9-15-27-52(42)60-36(3)33-37(4)61-53-28-16-10-22-43(53)45-30-35(2)32-51(55(45)59)57-48-25-13-7-19-40(48)41-20-8-14-26-49(41)57/h5-32,36-37,58-59H,33H2,1-4H3/t36-,37?/m1/s1
InChIKeyARYGEYDQRDUPAI-RKROREJRSA-N
XLogP13.87
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.98
LogP ≤ 513.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol (CID 58649310) is 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol is Cc1cc(-c2ccccc2OC(C)C[C@@H](C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
The InChIKey is ARYGEYDQRDUPAI-RKROREJRSA-N. The full InChI is InChI=1S/C55H46N2O4/c1-34-29-44(54(58)50(31-34)56-46-23-11-5-17-38(46)39-18-6-12-24-47(39)56)42-21-9-15-27-52(42)60-36(3)33-37(4)61-53-28-16-10-22-43(53)45-30-35(2)32-51(55(45)59)57-48-25-13-7-19-40(48)41-20-8-14-26-49(41)57/h5-32,36-37,58-59H,33H2,1-4H3/t36-,37?/m1/s1.
What are the key properties of 2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol has a molecular weight of 798.98 g/mol, XLogP of 13.87, 10 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-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol is sourced from PubChem (CID 58649310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).