3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol

C83H70N6O3 — CID 161258924

IUPAC3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol
SMILESCCc1c[nH]c2ccccc12.Cc1ccccc1-c1cc2ccccc2[nH]1.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.OCc1c(-c2ccccc2)[nH]c2ccccc12.Oc1ccccc1-c1cc2ccccc2[nH]1.c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13NO.C15H11NO.C15H13N.C14H11NO.C14H11N.C10H11N/c2*17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16-15;16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-8-7-11-10-6-4-3-5-9(8)10/h1-9,16-17H,10H2;1-10,16H;2-10,16H,1H3;1-9,15-16H;1-10,15H;3-7,11H,2H2,1H3
InChIKeyVCHJCEUBUNAKHP-UHFFFAOYSA-N
MW1199.51 g/mol
LogP21.22
Rot. Bonds8

About 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol

3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol (PubChem CID 161258924) has the molecular formula C83H70N6O3 and a molecular weight of 1199.51 g/mol. Its IUPAC name is 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol
PubChem CID161258924
Molecular FormulaC83H70N6O3
Molecular Weight1199.51 g/mol
Exact Mass1198.55
IUPAC Name3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol
SMILESCCc1c[nH]c2ccccc12.Cc1ccccc1-c1cc2ccccc2[nH]1.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.OCc1c(-c2ccccc2)[nH]c2ccccc12.Oc1ccccc1-c1cc2ccccc2[nH]1.c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H13NO.C15H11NO.C15H13N.C14H11NO.C14H11N.C10H11N/c2*17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16-15;16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-8-7-11-10-6-4-3-5-9(8)10/h1-9,16-17H,10H2;1-10,16H;2-10,16H,1H3;1-9,15-16H;1-10,15H;3-7,11H,2H2,1H3
InChIKeyVCHJCEUBUNAKHP-UHFFFAOYSA-N
XLogP21.22
TPSA152.27 Ų
H-Bond Donors8
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.51
LogP ≤ 521.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(7'-(Tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine
CID 3082906
5-[3-(1-adamantyl)-4-hydroxyphenyl]-1H-indole-3-carbaldehyde
CID 88020589
1-[1-benzyl-5-(dihydroxymethyl)indol-3-yl]ethanone;1-(1-benzyl-5-methylindol-3-yl)ethanone;1-benzyl-5-(methylperoxymethyl)indole;1-[1-benzyl-5-(methylperoxymethyl)indol-3-yl]ethanone;1H-indol-5-ylmethanediol;5-(methylperoxymethyl)-1H-indole
CID 90722680
1-[1-benzyl-5-(dihydroxymethyl)indol-3-yl]ethanone;1-(1-benzyl-5-methylindol-3-yl)ethanone;1-benzyl-5-(methylperoxymethyl)indole;1-[1-benzyl-5-(methylperoxymethyl)indol-3-yl]ethanone;5-(methylperoxymethyl)-1H-indole
CID 91178410
3-[3-acetyl-5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl]-(4-hydroxyphenyl)methyl]-4-methyl-1H-pyrrol-2-yl]-1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propan-1-one
CID 123424356
ethane;5-[6-(2-hydroxyphenyl)-3-pyridinyl]-1H-indole-3-carbaldehyde
CID 143845997
1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(4-hydroxyphenyl)methyl]-1H-pyrrol-2-yl]-(4-hydroxyphenyl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone;1-[5-[[5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 145620357
2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-5-methyl-1H-indole-3-carbaldehyde
CID 146186233
2-[1-[5-[[3-formyl-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]methyl]-1H-indol-3-yl]ethyl]-1H-indole-3-carboxylic acid
CID 146186236
2-[1-[5-[3-(hydroxymethyl)-2-[[5-[3-(hydroxymethyl)-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl]-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-5-methyl-1H-indole-3-carbaldehyde
CID 146186241
2-[1-[6-[[3-formyl-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]methyl]-1H-indol-3-yl]ethyl]-1H-indole-3-carboxylic acid
CID 146186252
[2-[1-[5-[3-formyl-2-(1H-indole-3-carbonyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-3-(hydroxymethyl)indol-1-yl] 2-[1-[5-[2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carboxylate
CID 146186276

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol?
The IUPAC name of 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol (CID 161258924) is 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol.
What is the SMILES notation for 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol?
The canonical SMILES for 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol is CCc1c[nH]c2ccccc12.Cc1ccccc1-c1cc2ccccc2[nH]1.O=Cc1c(-c2ccccc2)[nH]c2ccccc12.OCc1c(-c2ccccc2)[nH]c2ccccc12.Oc1ccccc1-c1cc2ccccc2[nH]1.c1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol?
The InChIKey is VCHJCEUBUNAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.C15H11NO.C15H13N.C14H11NO.C14H11N.C10H11N/c2*17-10-13-12-8-4-5-9-14(12)16-15(13)11-6-2-1-3-7-11;1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16-15;16-14-8-4-2-6-11(14)13-9-10-5-1-3-7-12(10)15-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;1-2-8-7-11-10-6-4-3-5-9(8)10/h1-9,16-17H,10H2;1-10,16H;2-10,16H,1H3;1-9,15-16H;1-10,15H;3-7,11H,2H2,1H3.
What are the key properties of 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol?
3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol has a molecular weight of 1199.51 g/mol, XLogP of 21.22, 8 rotatable bonds, 8 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-indole;2-(1H-indol-2-yl)phenol;2-(2-methylphenyl)-1H-indole;2-phenyl-1H-indole;2-phenyl-1H-indole-3-carbaldehyde;(2-phenyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 161258924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).