3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride

C60H54N6O10 — CID 158140153

IUPAC3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride
SMILESCOc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)=C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.COc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.[H][2H]
InChIInChI=1S/C30H27N3O5.C30H25N3O5.H2/c2*1-36-18-6-4-17(5-7-18)16-33-29(34)27(23-14-31-25-10-8-19(37-2)12-21(23)25)28(30(33)35)24-15-32-26-11-9-20(38-3)13-22(24)26;/h4-15,27-28,31-32H,16H2,1-3H3;4-15,31-32H,16H2,1-3H3;1H/i;;1+1
InChIKeyFTVIIMCQHIEDQT-FCHARDOESA-N
MW1020.13 g/mol
LogP10.51
Rot. Bonds14

About 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride

3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride (PubChem CID 158140153) has the molecular formula C60H54N6O10 and a molecular weight of 1020.13 g/mol. Its IUPAC name is 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride.

Molecular Properties

Compound Name3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride
PubChem CID158140153
Molecular FormulaC60H54N6O10
Molecular Weight1020.13 g/mol
Exact Mass1019.40
IUPAC Name3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride
SMILESCOc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)=C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.COc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.[H][2H]
InChIInChI=1S/C30H27N3O5.C30H25N3O5.H2/c2*1-36-18-6-4-17(5-7-18)16-33-29(34)27(23-14-31-25-10-8-19(37-2)12-21(23)25)28(30(33)35)24-15-32-26-11-9-20(38-3)13-22(24)26;/h4-15,27-28,31-32H,16H2,1-3H3;4-15,31-32H,16H2,1-3H3;1H/i;;1+1
InChIKeyFTVIIMCQHIEDQT-FCHARDOESA-N
XLogP10.51
TPSA193.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.13
LogP ≤ 510.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Go 6983
CID 3499
Del-22379
CID 11224574
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
3,4-bis(6-methoxy-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330715
3-[5-(benzyloxy)-1-methyl-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327675
(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 6516560
(6S)-6-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 122600567
(6S)-6-benzyl-1-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600917
2-[3-(5-Methoxy-1H-indol-3-yl)-propyl]-isoindole-1,3-dione
CID 906584
2-{4-[2-(5-Methoxy-1H-indol-3-yl)-ethylamino]-butyl}-isoindole-1,3-dione
CID 14566705
2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)butyl)-4-phenyl-1H-pyrido[1,2-c]pyrimidine-1,3(2H)-dione
CID 42603616
2-(4-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)butyl)-4-(4-methoxyphenyl)-1H-pyrido[1,2-c]pyrimidine-1,3(2H)-dione
CID 42603618

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride?
The IUPAC name of 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride (CID 158140153) is 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride.
What is the SMILES notation for 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride?
The canonical SMILES for 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride is COc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)=C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.COc1ccc(CN2C(=O)C(c3c[nH]c4ccc(OC)cc34)C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1.[H][2H].
What is the InChIKey of 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride?
The InChIKey is FTVIIMCQHIEDQT-FCHARDOESA-N. The full InChI is InChI=1S/C30H27N3O5.C30H25N3O5.H2/c2*1-36-18-6-4-17(5-7-18)16-33-29(34)27(23-14-31-25-10-8-19(37-2)12-21(23)25)28(30(33)35)24-15-32-26-11-9-20(38-3)13-22(24)26;/h4-15,27-28,31-32H,16H2,1-3H3;4-15,31-32H,16H2,1-3H3;1H/i;;1+1.
What are the key properties of 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride?
3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride has a molecular weight of 1020.13 g/mol, XLogP of 10.51, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione;3,4-bis(5-methoxy-1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione;deuterium monohydride is sourced from PubChem (CID 158140153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).