3,5-di(carbazol-9-yl)-N-methylbenzamide

C32H23N3O — CID 90292857

IUPAC3,5-di(carbazol-9-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H23N3O/c1-33-32(36)21-18-22(34-28-14-6-2-10-24(28)25-11-3-7-15-29(25)34)20-23(19-21)35-30-16-8-4-12-26(30)27-13-5-9-17-31(27)35/h2-20H,1H3,(H,33,36)
InChIKeyUITFNKQELWBXIK-UHFFFAOYSA-N
MW465.56 g/mol
LogP7.24
Rot. Bonds3

About 3,5-di(carbazol-9-yl)-N-methylbenzamide

3,5-di(carbazol-9-yl)-N-methylbenzamide (PubChem CID 90292857) has the molecular formula C32H23N3O and a molecular weight of 465.56 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)-N-methylbenzamide
PubChem CID90292857
Molecular FormulaC32H23N3O
Molecular Weight465.56 g/mol
Exact Mass465.18
IUPAC Name3,5-di(carbazol-9-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H23N3O/c1-33-32(36)21-18-22(34-28-14-6-2-10-24(28)25-11-3-7-15-29(25)34)20-23(19-21)35-30-16-8-4-12-26(30)27-13-5-9-17-31(27)35/h2-20H,1H3,(H,33,36)
InChIKeyUITFNKQELWBXIK-UHFFFAOYSA-N
XLogP7.24
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)-N-methylbenzamide?
The IUPAC name of 3,5-di(carbazol-9-yl)-N-methylbenzamide (CID 90292857) is 3,5-di(carbazol-9-yl)-N-methylbenzamide.
What is the SMILES notation for 3,5-di(carbazol-9-yl)-N-methylbenzamide?
The canonical SMILES for 3,5-di(carbazol-9-yl)-N-methylbenzamide is CNC(=O)c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3,5-di(carbazol-9-yl)-N-methylbenzamide?
The InChIKey is UITFNKQELWBXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3O/c1-33-32(36)21-18-22(34-28-14-6-2-10-24(28)25-11-3-7-15-29(25)34)20-23(19-21)35-30-16-8-4-12-26(30)27-13-5-9-17-31(27)35/h2-20H,1H3,(H,33,36).
What are the key properties of 3,5-di(carbazol-9-yl)-N-methylbenzamide?
3,5-di(carbazol-9-yl)-N-methylbenzamide has a molecular weight of 465.56 g/mol, XLogP of 7.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(carbazol-9-yl)-N-methylbenzamide is sourced from PubChem (CID 90292857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).