1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde

C54H40N2O4 — CID 134886852

IUPAC1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(Cn5cc(C=O)c6ccccc65)cc4)ccc4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C54H40N2O4/c57-33-43-31-55(49-15-7-5-11-45(43)49)29-37-17-21-39(22-18-37)35-59-51-27-25-41-9-1-3-13-47(41)53(51)54-48-14-4-2-10-42(48)26-28-52(54)60-36-40-23-19-38(20-24-40)30-56-32-44(34-58)46-12-6-8-16-50(46)56/h1-28,31-34H,29-30,35-36H2
InChIKeyJOZYQEBJMGIJAQ-UHFFFAOYSA-N
MW780.92 g/mol
LogP12.45
Rot. Bonds13

About 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde

1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde (PubChem CID 134886852) has the molecular formula C54H40N2O4 and a molecular weight of 780.92 g/mol. Its IUPAC name is 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde.

Molecular Properties

Compound Name1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde
PubChem CID134886852
Molecular FormulaC54H40N2O4
Molecular Weight780.92 g/mol
Exact Mass780.30
IUPAC Name1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde
SMILESO=Cc1cn(Cc2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(Cn5cc(C=O)c6ccccc65)cc4)ccc4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C54H40N2O4/c57-33-43-31-55(49-15-7-5-11-45(43)49)29-37-17-21-39(22-18-37)35-59-51-27-25-41-9-1-3-13-47(41)53(51)54-48-14-4-2-10-42(48)26-28-52(54)60-36-40-23-19-38(20-24-40)30-56-32-44(34-58)46-12-6-8-16-50(46)56/h1-28,31-34H,29-30,35-36H2
InChIKeyJOZYQEBJMGIJAQ-UHFFFAOYSA-N
XLogP12.45
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.92
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde with MolForge

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Related Compounds

Jwh 081
CID 10547208
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
NM-2201
CID 91864534
Methanone, (2-methoxy-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)-
CID 11268746
2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-yl}ethanoic acid
CID 6102812
Jwh-166
CID 11372171
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
(6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 11233636
[(1-{3-[(6-Benzoyl-1-Propyl-2-Naphthyl)oxy]propyl}-1h-Indol-5-Yl)oxy]acetic Acid
CID 16090857
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
CID 10319620
(7-methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone
CID 45271217
(7-Methoxynaphthalen-1-yl)(1-propyl-1H-indol-3-yl)methanone
CID 45271218

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde?
The IUPAC name of 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde (CID 134886852) is 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde.
What is the SMILES notation for 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde?
The canonical SMILES for 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde is O=Cc1cn(Cc2ccc(COc3ccc4ccccc4c3-c3c(OCc4ccc(Cn5cc(C=O)c6ccccc65)cc4)ccc4ccccc34)cc2)c2ccccc12.
What is the InChIKey of 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde?
The InChIKey is JOZYQEBJMGIJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O4/c57-33-43-31-55(49-15-7-5-11-45(43)49)29-37-17-21-39(22-18-37)35-59-51-27-25-41-9-1-3-13-47(41)53(51)54-48-14-4-2-10-42(48)26-28-52(54)60-36-40-23-19-38(20-24-40)30-56-32-44(34-58)46-12-6-8-16-50(46)56/h1-28,31-34H,29-30,35-36H2.
What are the key properties of 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde?
1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde has a molecular weight of 780.92 g/mol, XLogP of 12.45, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[1-[2-[[4-[(3-formylindol-1-yl)methyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methyl]indole-3-carbaldehyde is sourced from PubChem (CID 134886852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).