1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane

C40H43N3 — CID 91359287

IUPAC1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane
SMILESCC.CN(Cc1ccccc1)CC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H37N3.C2H6/c1-41(28-30-16-6-2-7-17-30)29-35(26-31-27-39-37-25-15-14-24-36(31)37)40-38(32-18-8-3-9-19-32,33-20-10-4-11-21-33)34-22-12-5-13-23-34;1-2/h2-25,27,35,39-40H,26,28-29H2,1H3;1-2H3
InChIKeyFNOLZTHDBVGCLC-UHFFFAOYSA-N
MW565.81 g/mol
LogP8.82
Rot. Bonds11

About 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane

1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane (PubChem CID 91359287) has the molecular formula C40H43N3 and a molecular weight of 565.81 g/mol. Its IUPAC name is 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane.

Molecular Properties

Compound Name1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane
PubChem CID91359287
Molecular FormulaC40H43N3
Molecular Weight565.81 g/mol
Exact Mass565.35
IUPAC Name1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane
SMILESCC.CN(Cc1ccccc1)CC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H37N3.C2H6/c1-41(28-30-16-6-2-7-17-30)29-35(26-31-27-39-37-25-15-14-24-36(31)37)40-38(32-18-8-3-9-19-32,33-20-10-4-11-21-33)34-22-12-5-13-23-34;1-2/h2-25,27,35,39-40H,26,28-29H2,1H3;1-2H3
InChIKeyFNOLZTHDBVGCLC-UHFFFAOYSA-N
XLogP8.82
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.81
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane with MolForge

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Related Compounds

3-(1H-indol-3-yl)-2-N-tritylpropane-1,2-diamine
CID 10717575
N-[3-(1H-indol-3-yl)-2-(tritylamino)propyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 10507700
(2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid;3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid
CID 67623773
3-[[benzyl(methyl)amino]methyl]-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71035632
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
1-[benzyl(1H-indol-3-ylmethyl)amino]butan-2-ol
CID 71677029
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen
CID 159748333
2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
CID 163609227
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
N-[1-(1H-indol-3-yl)-3-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
CID 21345269
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane?
The IUPAC name of 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane (CID 91359287) is 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane.
What is the SMILES notation for 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane?
The canonical SMILES for 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane is CC.CN(Cc1ccccc1)CC(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane?
The InChIKey is FNOLZTHDBVGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N3.C2H6/c1-41(28-30-16-6-2-7-17-30)29-35(26-31-27-39-37-25-15-14-24-36(31)37)40-38(32-18-8-3-9-19-32,33-20-10-4-11-21-33)34-22-12-5-13-23-34;1-2/h2-25,27,35,39-40H,26,28-29H2,1H3;1-2H3.
What are the key properties of 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane?
1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane has a molecular weight of 565.81 g/mol, XLogP of 8.82, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-(1H-indol-3-yl)-1-N-methyl-2-N-tritylpropane-1,2-diamine;ethane is sourced from PubChem (CID 91359287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).