3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole

C103H80N4O8 — CID 158195800

IUPAC3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole
SMILESC=CCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.CCCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.OCc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.Oc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1
InChIInChI=1S/C27H23NO2.C27H21NO2.C25H19NO2.C24H17NO2/c2*1-2-15-29-21-13-14-25-22(16-21)24(18-28-25)23-17-26(19-9-5-3-6-10-19)30-27(23)20-11-7-4-8-12-20;27-16-17-11-12-23-20(13-17)22(15-26-23)21-14-24(18-7-3-1-4-8-18)28-25(21)19-9-5-2-6-10-19;26-18-11-12-22-19(13-18)21(15-25-22)20-14-23(16-7-3-1-4-8-16)27-24(20)17-9-5-2-6-10-17/h3-14,16-18,28H,2,15H2,1H3;2-14,16-18,28H,1,15H2;1-15,26-27H,16H2;1-15,25-26H
InChIKeyGAICAMQOCBCYCU-UHFFFAOYSA-N
MW1501.79 g/mol
LogP27.60
Rot. Bonds19

About 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole

3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole (PubChem CID 158195800) has the molecular formula C103H80N4O8 and a molecular weight of 1501.79 g/mol. Its IUPAC name is 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole.

Molecular Properties

Compound Name3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole
PubChem CID158195800
Molecular FormulaC103H80N4O8
Molecular Weight1501.79 g/mol
Exact Mass1500.60
IUPAC Name3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole
SMILESC=CCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.CCCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.OCc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.Oc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1
InChIInChI=1S/C27H23NO2.C27H21NO2.C25H19NO2.C24H17NO2/c2*1-2-15-29-21-13-14-25-22(16-21)24(18-28-25)23-17-26(19-9-5-3-6-10-19)30-27(23)20-11-7-4-8-12-20;27-16-17-11-12-23-20(13-17)22(15-26-23)21-14-24(18-7-3-1-4-8-18)28-25(21)19-9-5-2-6-10-19;26-18-11-12-22-19(13-18)21(15-25-22)20-14-23(16-7-3-1-4-8-16)27-24(20)17-9-5-2-6-10-17/h3-14,16-18,28H,2,15H2,1H3;2-14,16-18,28H,1,15H2;1-15,26-27H,16H2;1-15,25-26H
InChIKeyGAICAMQOCBCYCU-UHFFFAOYSA-N
XLogP27.60
TPSA174.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.79
LogP ≤ 527.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[[3-[2-(1H-indol-3-yl)ethoxy]-4-[6-[3-(1H-indol-3-yl)propanoylamino]hexanoylamino]benzoyl]amino]propanoic acid
CID 129908866
(2S)-2-[[4-[[4-[2-[2-[2-[2-[[4-[4-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129908993
(2S)-2-[[4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 70685875
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-methyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707401
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-tert-butyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707403
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-propyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707459
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-ethyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707519
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162672081
5,5'-Terephthaloyldi(oxytryptamine) diacetate
CID 3040618
[5-[bis(5-hydroxy-1H-indol-3-yl)methyl]-7-propyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707588
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162652136
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 162652709

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole?
The IUPAC name of 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole (CID 158195800) is 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole.
What is the SMILES notation for 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole?
The canonical SMILES for 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole is C=CCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.CCCOc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.OCc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.Oc1ccc2[nH]cc(-c3cc(-c4ccccc4)oc3-c3ccccc3)c2c1.
What is the InChIKey of 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole?
The InChIKey is GAICAMQOCBCYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2.C27H21NO2.C25H19NO2.C24H17NO2/c2*1-2-15-29-21-13-14-25-22(16-21)24(18-28-25)23-17-26(19-9-5-3-6-10-19)30-27(23)20-11-7-4-8-12-20;27-16-17-11-12-23-20(13-17)22(15-26-23)21-14-24(18-7-3-1-4-8-18)28-25(21)19-9-5-2-6-10-19;26-18-11-12-22-19(13-18)21(15-25-22)20-14-23(16-7-3-1-4-8-16)27-24(20)17-9-5-2-6-10-17/h3-14,16-18,28H,2,15H2,1H3;2-14,16-18,28H,1,15H2;1-15,26-27H,16H2;1-15,25-26H.
What are the key properties of 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole?
3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole has a molecular weight of 1501.79 g/mol, XLogP of 27.60, 19 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-diphenylfuran-3-yl)-1H-indol-5-ol;[3-(2,5-diphenylfuran-3-yl)-1H-indol-5-yl]methanol;3-(2,5-diphenylfuran-3-yl)-5-prop-2-enoxy-1H-indole;3-(2,5-diphenylfuran-3-yl)-5-propoxy-1H-indole is sourced from PubChem (CID 158195800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).