ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine

C132H139N5O4 — CID 160861708

IUPACethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine
SMILESCC(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CCCCC(=O)O.CCCc1c[nH]c2ccccc12.CCCc1ccccc1.CCCc1ccncc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H12.C15H14.C14H11N.C14H14O.C14H14.C11H13N.C10H9NO.C9H9N.C9H12.C8H11N.C8H10.C5H10O2/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-2-3-4-5(6)7/h2-10H,1H3;2-12H,1H3;2-9H,1H3;3-11H,2H2,1H3;2-12H,1H3;3-4,6-8,12H,2,5H2,1H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;3-5,7-8H,2,6H2,1H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3;2-4H2,1H3,(H,6,7)
InChIKeySKOPIRHJLQNNGO-UHFFFAOYSA-N
MW1859.59 g/mol
LogP35.63
Rot. Bonds17

About ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine

ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine (PubChem CID 160861708) has the molecular formula C132H139N5O4 and a molecular weight of 1859.59 g/mol. Its IUPAC name is ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine.

Molecular Properties

Compound Nameethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine
PubChem CID160861708
Molecular FormulaC132H139N5O4
Molecular Weight1859.59 g/mol
Exact Mass1858.08
IUPAC Nameethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine
SMILESCC(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CCCCC(=O)O.CCCc1c[nH]c2ccccc12.CCCc1ccccc1.CCCc1ccncc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O
InChIInChI=1S/C15H12.C15H14.C14H11N.C14H14O.C14H14.C11H13N.C10H9NO.C9H9N.C9H12.C8H11N.C8H10.C5H10O2/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-2-3-4-5(6)7/h2-10H,1H3;2-12H,1H3;2-9H,1H3;3-11H,2H2,1H3;2-12H,1H3;3-4,6-8,12H,2,5H2,1H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;3-5,7-8H,2,6H2,1H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3;2-4H2,1H3,(H,6,7)
InChIKeySKOPIRHJLQNNGO-UHFFFAOYSA-N
XLogP35.63
TPSA136.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001859.59
LogP ≤ 535.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-pyridin-4-ylpropanamide
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[3-[(4-oxo-1H-quinoline-3-carbonyl)amino]-4-propylphenyl]carbamic acid
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disodium;hydride;4-(1H-indol-3-yl)butanoic acid
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1H-indol-3-ol;octadecanoic acid
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2-amino-3-(1H-indol-3-yl)propanoic acid;octanoic acid
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N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
CID 11629105
N-[2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 71703213
5-[[4-ethoxy-3-(1H-indol-3-ylmethyl)-4-oxobutyl]amino]-5-oxopentanoic acid
CID 123885715
3-(1H-indol-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 7948398
butanedioic acid;bis(N-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine)
CID 175918021
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine?
The IUPAC name of ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine (CID 160861708) is ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine.
What is the SMILES notation for ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine?
The canonical SMILES for ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine is CC(c1ccccc1)c1ccccc1.CC=C(c1ccccc1)c1ccccc1.CCCCC(=O)O.CCCc1c[nH]c2ccccc12.CCCc1ccccc1.CCCc1ccncc1.CCc1ccccc1.CCc1ccccc1Oc1ccccc1.Cc1c2ccccc2cc2ccccc12.Cc1c2ccccc2nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc2c1=O.
What is the InChIKey of ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine?
The InChIKey is SKOPIRHJLQNNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C15H14.C14H11N.C14H14O.C14H14.C11H13N.C10H9NO.C9H9N.C9H12.C8H11N.C8H10.C5H10O2/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-2-12-8-6-7-11-14(12)15-13-9-4-3-5-10-13;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-9-8-12-11-7-4-3-6-10(9)11;1-7-6-11-9-5-3-2-4-8(9)10(7)12;1-7-6-10-9-5-3-2-4-8(7)9;1-2-6-9-7-4-3-5-8-9;1-2-3-8-4-6-9-7-5-8;1-2-8-6-4-3-5-7-8;1-2-3-4-5(6)7/h2-10H,1H3;2-12H,1H3;2-9H,1H3;3-11H,2H2,1H3;2-12H,1H3;3-4,6-8,12H,2,5H2,1H3;2-6H,1H3,(H,11,12);2-6,10H,1H3;3-5,7-8H,2,6H2,1H3;4-7H,2-3H2,1H3;3-7H,2H2,1H3;2-4H2,1H3,(H,6,7).
What are the key properties of ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine?
ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine has a molecular weight of 1859.59 g/mol, XLogP of 35.63, 17 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;1-ethyl-2-phenoxybenzene;9-methylacridine;9-methylanthracene;3-methyl-1H-indole;3-methyl-1H-quinolin-4-one;pentanoic acid;1-phenylethylbenzene;1-phenylprop-1-enylbenzene;propylbenzene;3-propyl-1H-indole;4-propylpyridine is sourced from PubChem (CID 160861708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).