4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione

C32H18N4O2 — CID 162152400

IUPAC4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
SMILES[C-]#[N+]c1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C32H18N4O2/c1-33-25-17-18-34-19-24(25)21-12-7-15-27-29(21)22-11-5-6-14-26(22)36(27)28-16-8-13-23-30(28)32(38)35(31(23)37)20-9-3-2-4-10-20/h2-19H
InChIKeyYNAXDAZWTLFSKW-UHFFFAOYSA-N
MW490.52 g/mol
LogP7.20
Rot. Bonds3

About 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione

4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione (PubChem CID 162152400) has the molecular formula C32H18N4O2 and a molecular weight of 490.52 g/mol. Its IUPAC name is 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
PubChem CID162152400
Molecular FormulaC32H18N4O2
Molecular Weight490.52 g/mol
Exact Mass490.14
IUPAC Name4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
SMILES[C-]#[N+]c1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C32H18N4O2/c1-33-25-17-18-34-19-24(25)21-12-7-15-27-29(21)22-11-5-6-14-26(22)36(27)28-16-8-13-23-30(28)32(38)35(31(23)37)20-9-3-2-4-10-20/h2-19H
InChIKeyYNAXDAZWTLFSKW-UHFFFAOYSA-N
XLogP7.20
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
CID 162152399
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158618476
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
CID 148507420
3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(4-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-4-carbonitrile
CID 159001392
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-(2-carbazol-9-ylphenyl)-9-(2-isocyanophenyl)carbazole
CID 140760363
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
CID 142280546
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;4-(3,6-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;2-phenyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-phenyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 158393453
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione (CID 162152400) is 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione is [C-]#[N+]c1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?
The InChIKey is YNAXDAZWTLFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4O2/c1-33-25-17-18-34-19-24(25)21-12-7-15-27-29(21)22-11-5-6-14-26(22)36(27)28-16-8-13-23-30(28)32(38)35(31(23)37)20-9-3-2-4-10-20/h2-19H.
What are the key properties of 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?
4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione has a molecular weight of 490.52 g/mol, XLogP of 7.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 162152400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).