2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene

C127H131N5O23 — CID 159215991

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene
SMILESC=C(C)C(CC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CC(O)COC(=O)C1=CCc2ccccc21)OO.C=C(C)C(CCNC(=O)OCCN1C(=O)c2ccccc2C1=O)OO.C=C(C)C(CCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CCc1c[nH]c2ccccc12)OO.C=Cc1ccccc1.C=Cn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H22O5.C21H20O5.C17H20N2O6.C17H20O5.C14H17NO2.C14H13N.C14H11N.C8H8/c1-13(2)20(27-26)12-15(23)9-7-14-8-10-18-19(11-14)22(25)17-6-4-3-5-16(17)21(18)24;1-13(2)19(26-24)9-10-25-12-14-7-8-17-18(11-14)21(23)16-6-4-3-5-15(16)20(17)22;1-11(2)14(25-23)7-8-18-17(22)24-10-9-19-15(20)12-5-3-4-6-13(12)16(19)21;1-11(2)16(22-20)9-13(18)10-21-17(19)15-8-7-12-5-3-4-6-14(12)15;1-10(2)14(17-16)8-7-11-9-15-13-6-4-3-5-12(11)13;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-8-6-4-3-5-7-8/h3-6,8,10-11,15,20,23,26H,1,7,9,12H2,2H3;3-8,11,19,24H,1,9-10,12H2,2H3;3-6,14,23H,1,7-10H2,2H3,(H,18,22);3-6,8,13,16,18,20H,1,7,9-10H2,2H3;3-6,9,14-16H,1,7-8H2,2H3;3-10H,2H2,1H3;2-10H,1H2;2-7H,1H2
InChIKeyKRBNOXGAOVXNIM-UHFFFAOYSA-N
MW2095.46 g/mol
LogP25.14
Rot. Bonds37

About 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene

2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene (PubChem CID 159215991) has the molecular formula C127H131N5O23 and a molecular weight of 2095.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene
PubChem CID159215991
Molecular FormulaC127H131N5O23
Molecular Weight2095.46 g/mol
Exact Mass2093.92
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene
SMILESC=C(C)C(CC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CC(O)COC(=O)C1=CCc2ccccc21)OO.C=C(C)C(CCNC(=O)OCCN1C(=O)c2ccccc2C1=O)OO.C=C(C)C(CCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CCc1c[nH]c2ccccc12)OO.C=Cc1ccccc1.C=Cn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H22O5.C21H20O5.C17H20N2O6.C17H20O5.C14H17NO2.C14H13N.C14H11N.C8H8/c1-13(2)20(27-26)12-15(23)9-7-14-8-10-18-19(11-14)22(25)17-6-4-3-5-16(17)21(18)24;1-13(2)19(26-24)9-10-25-12-14-7-8-17-18(11-14)21(23)16-6-4-3-5-15(16)20(17)22;1-11(2)14(25-23)7-8-18-17(22)24-10-9-19-15(20)12-5-3-4-6-13(12)16(19)21;1-11(2)16(22-20)9-13(18)10-21-17(19)15-8-7-12-5-3-4-6-14(12)15;1-10(2)14(17-16)8-7-11-9-15-13-6-4-3-5-12(11)13;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-8-6-4-3-5-7-8/h3-6,8,10-11,15,20,23,26H,1,7,9,12H2,2H3;3-8,11,19,24H,1,9-10,12H2,2H3;3-6,14,23H,1,7-10H2,2H3,(H,18,22);3-6,8,13,16,18,20H,1,7,9-10H2,2H3;3-6,9,14-16H,1,7-8H2,2H3;3-10H,2H2,1H3;2-10H,1H2;2-7H,1H2
InChIKeyKRBNOXGAOVXNIM-UHFFFAOYSA-N
XLogP25.14
TPSA392.93 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds37
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002095.46
LogP ≤ 525.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene with MolForge

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Related Compounds

[(2S,4R,6R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]oxan-4-yl] benzoate
CID 54310956
[(2S,4S,6R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-6-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]oxan-4-yl] benzoate
CID 67631081
butan-2-ylbenzene;9-butan-2-ylcarbazole;1-(9,10-dioxoanthracen-1-yl)-3-(3-hydroperoxy-4,4-dimethylhexyl)urea;9-ethylcarbazole;2-[(3-hydroperoxy-4,4-dimethylhexoxy)methyl]anthracene-9,10-dione;2-(5-hydroperoxy-3-hydroxy-6,6-dimethyloctyl)anthracene-9,10-dione;3-(3-hydroperoxy-4-methylhexyl)-1H-indole
CID 157371955
ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;N-methyl-4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;1-[4-(1-pentylindole-3-carbonyl)naphthalen-1-yl]propan-1-one
CID 157619333
1-benzyl-6-tert-butylindole;1-(6-tert-butylindol-1-yl)ethanone;6-tert-butyl-1-methylindole;2,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-4-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate
CID 157748040
ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;N-methyl-4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide;4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylic acid;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxamide
CID 157846911
6-tert-butyl-1-methylindole;2-(5-tert-butyl-2-propan-2-ylindol-1-yl)ethanol;2,5-ditert-butyl-7-fluoro-1H-indene;3-(2,5-ditert-butyl-6-fluoroindol-1-yl)propan-1-ol;1-(2,5-ditert-butylindol-1-yl)-3-methoxypropan-2-ol;ethyl 6-tert-butyl-1H-indene-4-carboxylate;ethyl 6-tert-butyl-1H-indene-5-carboxylate;ethyl 6-tert-butyl-1H-indole-7-carboxylate
CID 157898504
(5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoic acid;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid;methyl 2-amino-2-methylpropanoate;methyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1-tert-butylindol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;phenacyl (5R)-6-(1H-indol-3-yl)-2,2-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)hexanoate;hydrochloride
CID 158172182
Ethyl 5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentanoate;methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate;methyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate;4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylic acid
CID 158222861
butan-2-ylbenzene;9-butan-2-ylcarbazole;[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropyl] 1H-indole-3-carboxylate;[3-[(9,10-dioxoanthracen-2-yl)amino]-2-hydroxypropyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole;2-(1H-indol-3-yl)ethyl 2,2-dimethylbutanoate
CID 158314269
[2-butanoyloxy-2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]ethyl] butanoate;[2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]-2-hydroxyethyl] butanoate
CID 158375298
CID 158784268
CID 158784268

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene (CID 159215991) is 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene is C=C(C)C(CC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CC(O)COC(=O)C1=CCc2ccccc21)OO.C=C(C)C(CCNC(=O)OCCN1C(=O)c2ccccc2C1=O)OO.C=C(C)C(CCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O)OO.C=C(C)C(CCc1c[nH]c2ccccc12)OO.C=Cc1ccccc1.C=Cn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene?
The InChIKey is KRBNOXGAOVXNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5.C21H20O5.C17H20N2O6.C17H20O5.C14H17NO2.C14H13N.C14H11N.C8H8/c1-13(2)20(27-26)12-15(23)9-7-14-8-10-18-19(11-14)22(25)17-6-4-3-5-16(17)21(18)24;1-13(2)19(26-24)9-10-25-12-14-7-8-17-18(11-14)21(23)16-6-4-3-5-15(16)20(17)22;1-11(2)14(25-23)7-8-18-17(22)24-10-9-19-15(20)12-5-3-4-6-13(12)16(19)21;1-11(2)16(22-20)9-13(18)10-21-17(19)15-8-7-12-5-3-4-6-14(12)15;1-10(2)14(17-16)8-7-11-9-15-13-6-4-3-5-12(11)13;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-2-8-6-4-3-5-7-8/h3-6,8,10-11,15,20,23,26H,1,7,9,12H2,2H3;3-8,11,19,24H,1,9-10,12H2,2H3;3-6,14,23H,1,7-10H2,2H3,(H,18,22);3-6,8,13,16,18,20H,1,7,9-10H2,2H3;3-6,9,14-16H,1,7-8H2,2H3;3-10H,2H2,1H3;2-10H,1H2;2-7H,1H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene?
2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene has a molecular weight of 2095.46 g/mol, XLogP of 25.14, 37 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl N-(3-hydroperoxy-4-methylpent-4-enyl)carbamate;9-ethenylcarbazole;9-ethylcarbazole;2-(5-hydroperoxy-3-hydroxy-6-methylhept-6-enyl)anthracene-9,10-dione;(4-hydroperoxy-2-hydroxy-5-methylhex-5-enyl) 3H-indene-1-carboxylate;2-[(3-hydroperoxy-4-methylpent-4-enoxy)methyl]anthracene-9,10-dione;3-(3-hydroperoxy-4-methylpent-4-enyl)-1H-indole;styrene is sourced from PubChem (CID 159215991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).