7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C52H51N5O6 — CID 130427728

IUPAC7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)Cc2cnc3c(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)ncnn23)cc1
InChIInChI=1S/C52H51N5O6/c1-58-45-23-15-38(16-24-45)33-56(34-39-17-25-46(59-2)26-18-39)50-51-53-32-44(57(51)55-37-54-50)31-49(62-35-40-19-27-47(60-3)28-20-40)36-63-52(41-11-7-5-8-12-41,42-13-9-6-10-14-42)43-21-29-48(61-4)30-22-43/h5-30,32,37,49H,31,33-36H2,1-4H3
InChIKeyVFLYJDLPRRPQJB-UHFFFAOYSA-N
MW842.01 g/mol
LogP9.50
Rot. Bonds20

About 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130427728) has the molecular formula C52H51N5O6 and a molecular weight of 842.01 g/mol. Its IUPAC name is 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130427728
Molecular FormulaC52H51N5O6
Molecular Weight842.01 g/mol
Exact Mass841.38
IUPAC Name7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)Cc2cnc3c(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)ncnn23)cc1
InChIInChI=1S/C52H51N5O6/c1-58-45-23-15-38(16-24-45)33-56(34-39-17-25-46(59-2)26-18-39)50-51-53-32-44(57(51)55-37-54-50)31-49(62-35-40-19-27-47(60-3)28-20-40)36-63-52(41-11-7-5-8-12-41,42-13-9-6-10-14-42)43-21-29-48(61-4)30-22-43/h5-30,32,37,49H,31,33-36H2,1-4H3
InChIKeyVFLYJDLPRRPQJB-UHFFFAOYSA-N
XLogP9.50
TPSA101.70 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-bromo-N,N-bis[(4-methoxyphenyl)methyl]-2-(2-methylpropoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 157021961
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
1-methoxy-4-[(3-prop-2-enoxy-4-trityloxybutoxy)methyl]benzene
CID 22177536
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium
CID 10721654
2-phenylmethoxy-3-trityloxypropan-1-olate
CID 140661134
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 131743274
7-bromo-2-butoxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777682
(2S)-2-[8-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]purin-9-yl]propan-1-ol
CID 146503038
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 130427728) is 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is COc1ccc(COC(COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)Cc2cnc3c(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)ncnn23)cc1.
What is the InChIKey of 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VFLYJDLPRRPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H51N5O6/c1-58-45-23-15-38(16-24-45)33-56(34-39-17-25-46(59-2)26-18-39)50-51-53-32-44(57(51)55-37-54-50)31-49(62-35-40-19-27-47(60-3)28-20-40)36-63-52(41-11-7-5-8-12-41,42-13-9-6-10-14-42)43-21-29-48(61-4)30-22-43/h5-30,32,37,49H,31,33-36H2,1-4H3.
What are the key properties of 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 842.01 g/mol, XLogP of 9.50, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(4-methoxyphenyl)-diphenylmethoxy]-2-[(4-methoxyphenyl)methoxy]propyl]-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130427728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).