carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole

C123H137N7O4 — CID 159701280

IUPACcarbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cn1c2ccccc2c2cc(C(=O)O)ccc21.O=C=O.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2C.[2H]Cc1ccc2c(c1)c1cc(C)ccc1n2C.[2H]c1cc2c(c([2H])c1C(C)(C)C)c1c([2H])c(C(C)(C)C)c([2H])cc1n2C.[2H]c1cc2c(cc1C(C)(C)C)c1cc(C(C)(C)C)c([2H])cc1n2C
InChIInChI=1S/3C21H27N.3C15H15N.C14H11NO2.CO2/c3*1-20(2,3)14-8-10-18-16(12-14)17-13-15(21(4,5)6)9-11-19(17)22(18)7;3*1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15;2-1-3/h3*8-13H,1-7H3;3*4-9H,1-3H3;2-8H,1H3,(H,16,17);/i8D,9D,12D,13D;8D,9D;;1D3;1D;;;
InChIKeyMXQONPLFDMIWIS-DPEZKXQLSA-N
MW1787.56 g/mol
LogP32.07
Rot. Bonds3

About carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole

carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole (PubChem CID 159701280) has the molecular formula C123H137N7O4 and a molecular weight of 1787.56 g/mol. Its IUPAC name is carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole.

Molecular Properties

Compound Namecarbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole
PubChem CID159701280
Molecular FormulaC123H137N7O4
Molecular Weight1787.56 g/mol
Exact Mass1786.14
IUPAC Namecarbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cn1c2ccccc2c2cc(C(=O)O)ccc21.O=C=O.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2C.[2H]Cc1ccc2c(c1)c1cc(C)ccc1n2C.[2H]c1cc2c(c([2H])c1C(C)(C)C)c1c([2H])c(C(C)(C)C)c([2H])cc1n2C.[2H]c1cc2c(cc1C(C)(C)C)c1cc(C(C)(C)C)c([2H])cc1n2C
InChIInChI=1S/3C21H27N.3C15H15N.C14H11NO2.CO2/c3*1-20(2,3)14-8-10-18-16(12-14)17-13-15(21(4,5)6)9-11-19(17)22(18)7;3*1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15;2-1-3/h3*8-13H,1-7H3;3*4-9H,1-3H3;2-8H,1H3,(H,16,17);/i8D,9D,12D,13D;8D,9D;;1D3;1D;;;
InChIKeyMXQONPLFDMIWIS-DPEZKXQLSA-N
XLogP32.07
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001787.56
LogP ≤ 532.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole with MolForge

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Related Compounds

1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
9-isobutyl-9H-carbazole-3-carboxylic acid
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1-cyclohexyl-3-methyl-2-phenyl-1H-indole-5-carboxylic acid
CID 21874515
9-Methyl-9H-carbazole-3-carboxylic acid
CID 614493
3-[[5-[1-[(3-Carboxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682145
9-propyl-9H-carbazole-3-carboxylic acid
CID 4125742
3-[[6-[1-[(4-Phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
1-[[4-(2-Carboxyphenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxylic acid
CID 155557717
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 44564613
9-hexylcarbazole-3-carboxylic Acid
CID 4125738
9-Ethyl-9H-carbazole-3-carboxylic acid
CID 4912869
9-ethyl-9H-carbazole-3,6-dicarboxylic acid
CID 3797914

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole?
The IUPAC name of carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole (CID 159701280) is carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole.
What is the SMILES notation for carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole?
The canonical SMILES for carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cn1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21.Cn1c2ccccc2c2cc(C(=O)O)ccc21.O=C=O.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2C.[2H]Cc1ccc2c(c1)c1cc(C)ccc1n2C.[2H]c1cc2c(c([2H])c1C(C)(C)C)c1c([2H])c(C(C)(C)C)c([2H])cc1n2C.[2H]c1cc2c(cc1C(C)(C)C)c1cc(C(C)(C)C)c([2H])cc1n2C.
What is the InChIKey of carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole?
The InChIKey is MXQONPLFDMIWIS-DPEZKXQLSA-N. The full InChI is InChI=1S/3C21H27N.3C15H15N.C14H11NO2.CO2/c3*1-20(2,3)14-8-10-18-16(12-14)17-13-15(21(4,5)6)9-11-19(17)22(18)7;3*1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-15-12-5-3-2-4-10(12)11-8-9(14(16)17)6-7-13(11)15;2-1-3/h3*8-13H,1-7H3;3*4-9H,1-3H3;2-8H,1H3,(H,16,17);/i8D,9D,12D,13D;8D,9D;;1D3;1D;;;.
What are the key properties of carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole?
carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole has a molecular weight of 1787.56 g/mol, XLogP of 32.07, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-(deuteriomethyl)-6,9-dimethylcarbazole;3,6-ditert-butyl-2,7-dideuterio-9-methylcarbazole;3,6-ditert-butyl-9-methylcarbazole;3,6-ditert-butyl-2,4,5,7-tetradeuterio-9-methylcarbazole;3,9-dimethyl-6-(trideuteriomethyl)carbazole;9-methylcarbazole-3-carboxylic acid;3,6,9-trimethylcarbazole is sourced from PubChem (CID 159701280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).