dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate

C22H18N2O4 — CID 100955123

IUPACdimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate
SMILESCOC(=O)C1c2[nH]c3ccccc3c2-c2[nH]c3ccccc3c2C1C(=O)OC
InChIInChI=1S/C22H18N2O4/c1-27-21(25)17-15-11-7-3-5-9-13(11)23-19(15)16-12-8-4-6-10-14(12)24-20(16)18(17)22(26)28-2/h3-10,17-18,23-24H,1-2H3
InChIKeyPJJLGBMJGMXDMW-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.84
Rot. Bonds2

About dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate

dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate (PubChem CID 100955123) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate
PubChem CID100955123
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Namedimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate
SMILESCOC(=O)C1c2[nH]c3ccccc3c2-c2[nH]c3ccccc3c2C1C(=O)OC
InChIInChI=1S/C22H18N2O4/c1-27-21(25)17-15-11-7-3-5-9-13(11)23-19(15)16-12-8-4-6-10-14(12)24-20(16)18(17)22(26)28-2/h3-10,17-18,23-24H,1-2H3
InChIKeyPJJLGBMJGMXDMW-UHFFFAOYSA-N
XLogP3.84
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-4-carboxylate
CID 137176430
methyl 19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate
CID 74348300
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
methyl 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 14218278
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl (5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
CID 71768206
methyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754468
methyl (3S,4R)-4-methyl-1-[(E)-2-phenylethenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 14284067
methyl (2S,7S)-7-ethyl-8-oxo-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),11,13,15-tetraene-3-carboxylate
CID 25139705
methyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 6937468

Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate?
The IUPAC name of dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate (CID 100955123) is dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate.
What is the SMILES notation for dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate?
The canonical SMILES for dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate is COC(=O)C1c2[nH]c3ccccc3c2-c2[nH]c3ccccc3c2C1C(=O)OC.
What is the InChIKey of dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate?
The InChIKey is PJJLGBMJGMXDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-21(25)17-15-11-7-3-5-9-13(11)23-19(15)16-12-8-4-6-10-14(12)24-20(16)18(17)22(26)28-2/h3-10,17-18,23-24H,1-2H3.
What are the key properties of dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate?
dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate has a molecular weight of 374.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,6,7,12-tetrahydroindolo[3,2-c]carbazole-6,7-dicarboxylate is sourced from PubChem (CID 100955123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).