[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate

C73H73N3O2 — CID 141348522

IUPAC[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate
SMILESCC(Cc1c[nH]c2ccccc12)C(CCCCc1ccccc1)(OC(=O)C(Cc1ccccc1)(c1c[nH]c2ccccc12)C(CCCc1ccccc1)(CCc1ccccc1)C(C)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C73H73N3O2/c1-54(49-61-52-74-67-43-22-19-40-63(61)67)73(62-38-16-7-17-39-62,47-25-24-33-56-27-8-3-9-28-56)78-70(77)72(51-59-34-14-6-15-35-59,65-53-75-68-44-23-20-41-64(65)68)71(48-45-58-31-12-5-13-32-58,46-26-36-57-29-10-4-11-30-57)55(2)69-50-60-37-18-21-42-66(60)76-69/h3-23,27-32,34-35,37-44,50,52-55,74-76H,24-26,33,36,45-49,51H2,1-2H3
InChIKeyXHNOKSILOSBELS-UHFFFAOYSA-N
MW1024.41 g/mol
LogP17.79
Rot. Bonds24

About [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate

[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate (PubChem CID 141348522) has the molecular formula C73H73N3O2 and a molecular weight of 1024.41 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate
PubChem CID141348522
Molecular FormulaC73H73N3O2
Molecular Weight1024.41 g/mol
Exact Mass1023.57
IUPAC Name[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate
SMILESCC(Cc1c[nH]c2ccccc12)C(CCCCc1ccccc1)(OC(=O)C(Cc1ccccc1)(c1c[nH]c2ccccc12)C(CCCc1ccccc1)(CCc1ccccc1)C(C)c1cc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C73H73N3O2/c1-54(49-61-52-74-67-43-22-19-40-63(61)67)73(62-38-16-7-17-39-62,47-25-24-33-56-27-8-3-9-28-56)78-70(77)72(51-59-34-14-6-15-35-59,65-53-75-68-44-23-20-41-64(65)68)71(48-45-58-31-12-5-13-32-58,46-26-36-57-29-10-4-11-30-57)55(2)69-50-60-37-18-21-42-66(60)76-69/h3-23,27-32,34-35,37-44,50,52-55,74-76H,24-26,33,36,45-49,51H2,1-2H3
InChIKeyXHNOKSILOSBELS-UHFFFAOYSA-N
XLogP17.79
TPSA73.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.41
LogP ≤ 517.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate with MolForge

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Related Compounds

2,5-Furandione, 3,4-di-1H-indol-3-yl-
CID 5327652
(1H-Indol-3-yl)-acetic acid 2-(2-1H-indol-3-yl-acetoxy)-ethyl ester
CID 582695
methyl 3-[3-(5-methoxycarbonyl-1H-indol-3-yl)-2-oxo-1H-indol-3-yl]-1H-indole-5-carboxylate
CID 70687381
methyl 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylate
CID 137656606
Lycogarubin C
CID 11037060
benzyl 3-(1H-indol-3-yl)propanoate
CID 13855378
2,2-Bis(3,3'-indolyl)-isocaproic acid
CID 10641320
Malasseziacitrin
CID 101746401
methyl (2R)-2-(1H-indol-3-ylmethyl)-5-[4-[(E)-2-[4-[(4R)-4-(1H-indol-3-ylmethyl)-5-methoxy-2,5-dioxopentyl]phenyl]ethenyl]phenyl]-4-oxopentanoate
CID 53348031
DIM-C-pPhCO2Me
CID 15637614
Cbz-D-Trp-Phe-D-Trp-OBn
CID 15755330
ethyl 3-[(5-ethoxycarbonyl-1H-indol-3-yl)methyl]-1H-indole-5-carboxylate
CID 16749195

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate?
The IUPAC name of [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate (CID 141348522) is [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate.
What is the SMILES notation for [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate?
The canonical SMILES for [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate is CC(Cc1c[nH]c2ccccc12)C(CCCCc1ccccc1)(OC(=O)C(Cc1ccccc1)(c1c[nH]c2ccccc12)C(CCCc1ccccc1)(CCc1ccccc1)C(C)c1cc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate?
The InChIKey is XHNOKSILOSBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H73N3O2/c1-54(49-61-52-74-67-43-22-19-40-63(61)67)73(62-38-16-7-17-39-62,47-25-24-33-56-27-8-3-9-28-56)78-70(77)72(51-59-34-14-6-15-35-59,65-53-75-68-44-23-20-41-64(65)68)71(48-45-58-31-12-5-13-32-58,46-26-36-57-29-10-4-11-30-57)55(2)69-50-60-37-18-21-42-66(60)76-69/h3-23,27-32,34-35,37-44,50,52-55,74-76H,24-26,33,36,45-49,51H2,1-2H3.
What are the key properties of [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate?
[1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate has a molecular weight of 1024.41 g/mol, XLogP of 17.79, 24 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-2-methyl-3,7-diphenylheptan-3-yl] 2-benzyl-2-(1H-indol-3-yl)-3-[1-(1H-indol-2-yl)ethyl]-6-phenyl-3-(2-phenylethyl)hexanoate is sourced from PubChem (CID 141348522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).