butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole

C110H118N4O15 — CID 159158740

IUPACbutan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole
SMILESCCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCNC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26O5.C23H24N2O5.C23H24O5.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)21(28)30-13-12-24-22(29)25-17-11-7-10-16-18(17)20(27)15-9-6-5-8-14(15)19(16)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-11H,4,12-13H2,1-3H3,(H2,24,25,29);5-10,13H,4,11-12,14H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyKKFNAYQRRDFZLU-UHFFFAOYSA-N
MW1736.17 g/mol
LogP23.04
Rot. Bonds25

About butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole

butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole (PubChem CID 159158740) has the molecular formula C110H118N4O15 and a molecular weight of 1736.17 g/mol. Its IUPAC name is butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole.

Molecular Properties

Compound Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole
PubChem CID159158740
Molecular FormulaC110H118N4O15
Molecular Weight1736.17 g/mol
Exact Mass1734.86
IUPAC Namebutan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole
SMILESCCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCNC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H26O5.C23H24N2O5.C23H24O5.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)21(28)30-13-12-24-22(29)25-17-11-7-10-16-18(17)20(27)15-9-6-5-8-14(15)19(16)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-11H,4,12-13H2,1-3H3,(H2,24,25,29);5-10,13H,4,11-12,14H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3
InChIKeyKKFNAYQRRDFZLU-UHFFFAOYSA-N
XLogP23.04
TPSA261.77 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.17
LogP ≤ 523.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole with MolForge

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Related Compounds

[2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]-2-hydroxyethyl] 2-aminopropanoate
CID 59375028
[2-(2-aminopropanoyloxy)-2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]ethyl] 2-aminopropanoate
CID 59375147
Ethyl 2,5-bis[(9-ethylcarbazol-3-yl)amino]-4-(1-hydroxy-3-oxoprop-2-enyl)benzoate
CID 90873622
[2-(2-amino-3-methylbutanoyl)oxy-2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]ethyl] 2-amino-3-methylbutanoate
CID 141621937
[2-[8-carbamoyl-5-[2-methyl-3-(5-methyl-3-oxo-1H-isoindol-2-yl)phenyl]-9H-carbazol-2-yl]-2-hydroxyethyl] 2-amino-3-methylbutanoate
CID 141621956
4-[4-[2-(2-Carboxycarbazol-9-yl)-1-methoxyethyl]phenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole-2-carboxylic acid
CID 143732896
4-[2-[[2,3-Dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid;ethyl 4-[2-[[2,3-dimethyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoate;methane;methanol
CID 157332656
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
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
Methyl 3-cyclohexyl-2-(2-formylphenyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-6-carboxylate
CID 158405346
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
CID 158418292

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole?
The IUPAC name of butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole (CID 159158740) is butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole.
What is the SMILES notation for butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole?
The canonical SMILES for butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole is CCC(C)(C)C(=O)OCC(O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCNC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.CCC(C)(C)C(=O)OCCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.CCC(C)c1ccccc1.CCC(C)n1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.
What is the InChIKey of butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole?
The InChIKey is KKFNAYQRRDFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O5.C23H24N2O5.C23H24O5.C16H17N.C14H13N.C10H14/c1-4-24(2,3)23(28)29-14-16(25)11-9-15-10-12-19-20(13-15)22(27)18-8-6-5-7-17(18)21(19)26;1-4-23(2,3)21(28)30-13-12-24-22(29)25-17-11-7-10-16-18(17)20(27)15-9-6-5-8-14(15)19(16)26;1-4-23(2,3)22(26)28-12-11-27-14-15-9-10-18-19(13-15)21(25)17-8-6-5-7-16(17)20(18)24;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-9(2)10-7-5-4-6-8-10/h5-8,10,12-13,16,25H,4,9,11,14H2,1-3H3;5-11H,4,12-13H2,1-3H3,(H2,24,25,29);5-10,13H,4,11-12,14H2,1-3H3;4-12H,3H2,1-2H3;3-10H,2H2,1H3;4-9H,3H2,1-2H3.
What are the key properties of butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole?
butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole has a molecular weight of 1736.17 g/mol, XLogP of 23.04, 25 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;9-butan-2-ylcarbazole;2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]ethyl 2,2-dimethylbutanoate;[4-(9,10-dioxoanthracen-2-yl)-2-hydroxybutyl] 2,2-dimethylbutanoate;2-[(9,10-dioxoanthracen-2-yl)methoxy]ethyl 2,2-dimethylbutanoate;9-ethylcarbazole is sourced from PubChem (CID 159158740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).