bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone

C176H172N12O12 — CID 161262260

IUPACbis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESCC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C32H30N2O2.4C28H28N2O2/c2*1-23-12-14-24(15-13-23)18-19-33-31(26-10-6-3-7-11-26)32(35)29-21-34-30-20-27(16-17-28(29)30)36-22-25-8-4-2-5-9-25;4*1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26/h2*2-17,20-21,31,33-34H,18-19,22H2,1H3;4*3-13,17-18,27,29-30H,14-16H2,1-2H3/t2*31-;4*27-/m101100/s1
InChIKeyVCSCORHXIUMROL-RJKWFDQBSA-N
MW2647.38 g/mol
LogP35.08
Rot. Bonds56

About bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone

bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone (PubChem CID 161262260) has the molecular formula C176H172N12O12 and a molecular weight of 2647.38 g/mol. Its IUPAC name is bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Namebis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
PubChem CID161262260
Molecular FormulaC176H172N12O12
Molecular Weight2647.38 g/mol
Exact Mass2645.32
IUPAC Namebis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
SMILESCC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1
InChIInChI=1S/2C32H30N2O2.4C28H28N2O2/c2*1-23-12-14-24(15-13-23)18-19-33-31(26-10-6-3-7-11-26)32(35)29-21-34-30-20-27(16-17-28(29)30)36-22-25-8-4-2-5-9-25;4*1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26/h2*2-17,20-21,31,33-34H,18-19,22H2,1H3;4*3-13,17-18,27,29-30H,14-16H2,1-2H3/t2*31-;4*27-/m101100/s1
InChIKeyVCSCORHXIUMROL-RJKWFDQBSA-N
XLogP35.08
TPSA356.08 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds56
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.38
LogP ≤ 535.08
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone with MolForge

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Related Compounds

Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3x
CID 5330742
1-(6-methoxy-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728680
US11414384, Example 61 Isomer 2
CID 156114840
US11414384, Example 126 Isomer 2
CID 156114863
N-[2-(1H-indol-3-yl)ethyl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 127044209
2-(6-methoxy-1H-indol-3-yl)-N-[3-[4-[3-[[2-(6-methoxy-1H-indol-3-yl)-2-oxo-acetyl]amino]propylamino]butylamino]propyl]-2-oxo-acetamide
CID 129905557
2-(6-methoxy-1H-indol-3-yl)-N-[3-[12-[3-[[2-(6-methoxy-1H-indol-3-yl)-2-oxo-acetyl]amino]propylamino]dodecylamino]propyl]-2-oxo-acetamide
CID 129905675
US11414384, Example 61 Isomer 1
CID 139422927
3-(1H-indol-3-ylmethyl)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-[2-(4-phenylmethoxyphenyl)ethyl]piperazin-2-one
CID 44214662
US11414384, Example 126 Isomer 1
CID 139422806
2-(6-Methoxy-1h-indol-3-yl)-2-phenylindolin-3-one
CID 146171509
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 123488008

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone?
The IUPAC name of bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone (CID 161262260) is bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone is CC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)Cc1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)c2ccccc2)cc1.
What is the InChIKey of bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone?
The InChIKey is VCSCORHXIUMROL-RJKWFDQBSA-N. The full InChI is InChI=1S/2C32H30N2O2.4C28H28N2O2/c2*1-23-12-14-24(15-13-23)18-19-33-31(26-10-6-3-7-11-26)32(35)29-21-34-30-20-27(16-17-28(29)30)36-22-25-8-4-2-5-9-25;4*1-19-8-10-21(11-9-19)14-15-29-27(23-6-4-3-5-7-23)28(32)25-18-30-26-17-22(16-20(2)31)12-13-24(25)26/h2*2-17,20-21,31,33-34H,18-19,22H2,1H3;4*3-13,17-18,27,29-30H,14-16H2,1-2H3/t2*31-;4*27-/m101100/s1.
What are the key properties of bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone?
bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone has a molecular weight of 2647.38 g/mol, XLogP of 35.08, 56 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);bis(1-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propan-2-one);(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 161262260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).