dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate

C23H16N2O4 — CID 146674997

IUPACdimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)c1cc(C(=O)OC)ccc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C23H16N2O4/c1-28-22(26)15-5-9-20-18(11-15)19-12-16(23(27)29-2)6-10-21(19)25(20)17-7-3-14(13-24)4-8-17/h3-12H,1-2H3
InChIKeyDJLUIOUJTWVRBH-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.23
Rot. Bonds3

About dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate

dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate (PubChem CID 146674997) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate
PubChem CID146674997
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Namedimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)c1cc(C(=O)OC)ccc1n2-c1ccc(C#N)cc1
InChIInChI=1S/C23H16N2O4/c1-28-22(26)15-5-9-20-18(11-15)19-12-16(23(27)29-2)6-10-21(19)25(20)17-7-3-14(13-24)4-8-17/h3-12H,1-2H3
InChIKeyDJLUIOUJTWVRBH-UHFFFAOYSA-N
XLogP4.23
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
6-cyano-9-[4-(trifluoromethyl)phenyl]carbazole-3-carboxylic acid
CID 162680923
[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-cyanobenzoate
CID 2470136
methyl 2-benzyl-4-phenylpyrrolo[3,4-b]indole-7-carboxylate
CID 157037213
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
4-[4-(3,6-dibromocarbazol-9-yl)phenyl]benzonitrile
CID 118632511
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
methyl 4-[(4-cyanophenyl)methylsulfanylmethyl]benzoate
CID 4797129
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750
methyl 9-(4-octylphenyl)-6-[9-(4-octylphenyl)carbazole-3-carbonyl]carbazole-3-carboxylate
CID 101462869

Frequently Asked Questions

What is the IUPAC name of dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate?
The IUPAC name of dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate (CID 146674997) is dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate.
What is the SMILES notation for dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate?
The canonical SMILES for dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate is COC(=O)c1ccc2c(c1)c1cc(C(=O)OC)ccc1n2-c1ccc(C#N)cc1.
What is the InChIKey of dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate?
The InChIKey is DJLUIOUJTWVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-28-22(26)15-5-9-20-18(11-15)19-12-16(23(27)29-2)6-10-21(19)25(20)17-7-3-14(13-24)4-8-17/h3-12H,1-2H3.
What are the key properties of dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate?
dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate has a molecular weight of 384.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate is sourced from PubChem (CID 146674997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).