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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Related Compounds

Bisgerayafoline A
CID 71725435
Bisgerayafoline B
CID 71725436
2-(1-hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol
CID 6712792
Clausenawalline E
CID 57409126
Bismurrayafoline B
CID 375145
Clausenawalline A
CID 53361769
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-hydroxy-7-methoxy-3-methyl-9H-carbazol-2-yl]-7-methoxy-3-methyl-9H-carbazol-1-ol
CID 15715333
7-(8-hydroxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-7-yl)-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
CID 5318907
5-[(1-methoxy-3-methyl-9H-carbazol-4-yl)methyl]-3,3-dimethyl-11H-pyrano[3,2-a]carbazole
CID 177381779
7-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,9-trimethyl-11H-pyrano[3,2-a]carbazol-8-ol
CID 162960163
8-(3,7-dimethylocta-2,6-dienyl)-2-[8-(3,7-dimethylocta-2,6-dienyl)-1-hydroxy-7-methoxy-3-methyl-9H-carbazol-2-yl]-7-methoxy-3-methyl-9H-carbazol-1-ol
CID 162988406
rel-2a(2),2a(2)a(2)a(2)-[(1R,2R)-1,2-Cyclohexanediylbis(methyleneoxy)]bis[3-(9H-carbazol-9-yl)-5-methyl[1,1a(2)-biphenyl]-2-ol
CID 58219174

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).