2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol

C62H48N2O4 — CID 20749787

IUPAC2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol
SMILESCc1cc(-c2c(OCCCCOc3ccc4ccccc4c3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)ccc3ccccc23)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H48N2O4/c1-39-35-49(61(65)55(37-39)63-51-25-11-7-21-45(51)46-22-8-12-26-52(46)63)59-43-19-5-3-17-41(43)29-31-57(59)67-33-15-16-34-68-58-32-30-42-18-4-6-20-44(42)60(58)50-36-40(2)38-56(62(50)66)64-53-27-13-9-23-47(53)48-24-10-14-28-54(48)64/h3-14,17-32,35-38,65-66H,15-16,33-34H2,1-2H3
InChIKeyHXVVJBAAMZWCGA-UHFFFAOYSA-N
MW885.08 g/mol
LogP15.79
Rot. Bonds11

About 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol

2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol (PubChem CID 20749787) has the molecular formula C62H48N2O4 and a molecular weight of 885.08 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol
PubChem CID20749787
Molecular FormulaC62H48N2O4
Molecular Weight885.08 g/mol
Exact Mass884.36
IUPAC Name2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol
SMILESCc1cc(-c2c(OCCCCOc3ccc4ccccc4c3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)ccc3ccccc23)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H48N2O4/c1-39-35-49(61(65)55(37-39)63-51-25-11-7-21-45(51)46-22-8-12-26-52(46)63)59-43-19-5-3-17-41(43)29-31-57(59)67-33-15-16-34-68-58-32-30-42-18-4-6-20-44(42)60(58)50-36-40(2)38-56(62(50)66)64-53-27-13-9-23-47(53)48-24-10-14-28-54(48)64/h3-14,17-32,35-38,65-66H,15-16,33-34H2,1-2H3
InChIKeyHXVVJBAAMZWCGA-UHFFFAOYSA-N
XLogP15.79
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 515.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol (CID 20749787) is 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol is Cc1cc(-c2c(OCCCCOc3ccc4ccccc4c3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)ccc3ccccc23)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol?
The InChIKey is HXVVJBAAMZWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N2O4/c1-39-35-49(61(65)55(37-39)63-51-25-11-7-21-45(51)46-22-8-12-26-52(46)63)59-43-19-5-3-17-41(43)29-31-57(59)67-33-15-16-34-68-58-32-30-42-18-4-6-20-44(42)60(58)50-36-40(2)38-56(62(50)66)64-53-27-13-9-23-47(53)48-24-10-14-28-54(48)64/h3-14,17-32,35-38,65-66H,15-16,33-34H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol has a molecular weight of 885.08 g/mol, XLogP of 15.79, 11 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-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol is sourced from PubChem (CID 20749787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).