7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide

C85H108N6O15S3 — CID 159095815

IUPAC7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide
SMILESCCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)O)cc23)C1=O.NC1CCS(=O)(=O)C1
InChIInChI=1S/C31H38N2O5S.C27H31NO4.C23H30N2O4S.C4H9NO2S/c1-6-31(7-2)19-30(3,4)26-24-16-21(29(35)32-22-14-15-39(36,37)18-22)10-13-25(24)33(27(26)28(31)34)17-20-8-11-23(38-5)12-9-20;1-6-27(7-2)16-26(3,4)22-20-14-18(25(30)31)10-13-21(20)28(23(22)24(27)29)15-17-8-11-19(32-5)12-9-17;1-5-23(6-2)13-22(3,4)18-16-11-14(7-8-17(16)25-19(18)20(23)26)21(27)24-15-9-10-30(28,29)12-15;5-4-1-2-8(6,7)3-4/h8-13,16,22H,6-7,14-15,17-19H2,1-5H3,(H,32,35);8-14H,6-7,15-16H2,1-5H3,(H,30,31);7-8,11,15,25H,5-6,9-10,12-13H2,1-4H3,(H,24,27);4H,1-3,5H2
InChIKeyKCQQPUNOBPMGMT-UHFFFAOYSA-N
MW1550.03 g/mol
LogP14.24
Rot. Bonds17

About 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide

7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide (PubChem CID 159095815) has the molecular formula C85H108N6O15S3 and a molecular weight of 1550.03 g/mol. Its IUPAC name is 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide.

Molecular Properties

Compound Name7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide
PubChem CID159095815
Molecular FormulaC85H108N6O15S3
Molecular Weight1550.03 g/mol
Exact Mass1548.70
IUPAC Name7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide
SMILESCCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)O)cc23)C1=O.NC1CCS(=O)(=O)C1
InChIInChI=1S/C31H38N2O5S.C27H31NO4.C23H30N2O4S.C4H9NO2S/c1-6-31(7-2)19-30(3,4)26-24-16-21(29(35)32-22-14-15-39(36,37)18-22)10-13-25(24)33(27(26)28(31)34)17-20-8-11-23(38-5)12-9-20;1-6-27(7-2)16-26(3,4)22-20-14-18(25(30)31)10-13-21(20)28(23(22)24(27)29)15-17-8-11-19(32-5)12-9-17;1-5-23(6-2)13-22(3,4)18-16-11-14(7-8-17(16)25-19(18)20(23)26)21(27)24-15-9-10-30(28,29)12-15;5-4-1-2-8(6,7)3-4/h8-13,16,22H,6-7,14-15,17-19H2,1-5H3,(H,32,35);8-14H,6-7,15-16H2,1-5H3,(H,30,31);7-8,11,15,25H,5-6,9-10,12-13H2,1-4H3,(H,24,27);4H,1-3,5H2
InChIKeyKCQQPUNOBPMGMT-UHFFFAOYSA-N
XLogP14.24
TPSA319.26 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001550.03
LogP ≤ 514.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide with MolForge

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Related Compounds

6-[6-[6-[6-[[(2E)-1-(4-methoxyphenyl)-2-methyl-1-phenylpenta-2,4-dienyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
CID 22890084
N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxospiro[6H-carbazole-7,1'-cyclopropane]-3-carboxamide
CID 71276402
N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide
CID 71276404
N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide
CID 71276429
6-[6-[6-[6-[[1-(4-methoxyphenyl)-2-methyl-1-phenylpenta-2,4-dienyl]amino]hexanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid
CID 90794176
2'-[2-(5,5-dimethyl-8-oxospiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-yl)ethyl]-N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxospiro[6H-carbazole-7,1'-cyclopropane]-3-carboxamide
CID 123985616
Tert-butyl 2-[4-[[5-[1-(4-methoxyphenyl)ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate;ethane;2-[4-[[5-[1-(4-methoxyphenyl)ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 144488116
7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)-6H-carbazole-3-carboxamide
CID 144535046
9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide
CID 144535048
9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6H-carbazole-7,1'-cyclopropane]-3-carboxamide
CID 144535058
18-Cyclohexyl-19-(4-methoxyphenyl)-7-methyl-11,11-dioxo-11lambda6-thia-1,4,7,10-tetrazatricyclo[12.5.2.017,20]henicosa-14(21),15,17(20),18-tetraene-3,13-dione;3-cyclohexyl-2-(4-methoxyphenyl)-1-[2-[2-[methyl-[2-(sulfamoylamino)ethyl]amino]ethylamino]-2-oxoethyl]indole-6-carboxylic acid
CID 157066207
7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;methyl 9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6,7-dihydrocarbazole-3-carboxylate
CID 157128177

Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide?
The IUPAC name of 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide (CID 159095815) is 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide.
What is the SMILES notation for 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide?
The canonical SMILES for 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide is CCC1(CC)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.CCC1(CC)CC(C)(C)c2c(n(Cc3ccc(OC)cc3)c3ccc(C(=O)O)cc23)C1=O.NC1CCS(=O)(=O)C1.
What is the InChIKey of 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide?
The InChIKey is KCQQPUNOBPMGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O5S.C27H31NO4.C23H30N2O4S.C4H9NO2S/c1-6-31(7-2)19-30(3,4)26-24-16-21(29(35)32-22-14-15-39(36,37)18-22)10-13-25(24)33(27(26)28(31)34)17-20-8-11-23(38-5)12-9-20;1-6-27(7-2)16-26(3,4)22-20-14-18(25(30)31)10-13-21(20)28(23(22)24(27)29)15-17-8-11-19(32-5)12-9-17;1-5-23(6-2)13-22(3,4)18-16-11-14(7-8-17(16)25-19(18)20(23)26)21(27)24-15-9-10-30(28,29)12-15;5-4-1-2-8(6,7)3-4/h8-13,16,22H,6-7,14-15,17-19H2,1-5H3,(H,32,35);8-14H,6-7,15-16H2,1-5H3,(H,30,31);7-8,11,15,25H,5-6,9-10,12-13H2,1-4H3,(H,24,27);4H,1-3,5H2.
What are the key properties of 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide?
7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide has a molecular weight of 1550.03 g/mol, XLogP of 14.24, 17 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxylic acid;1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-5,5-dimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-7,7-diethyl-9-[(4-methoxyphenyl)methyl]-5,5-dimethyl-8-oxo-6H-carbazole-3-carboxamide is sourced from PubChem (CID 159095815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).