ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione

C28H21N3O2 — CID 142280561

IUPACethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESC=C.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccccn5)ccc43)c2C1=O
InChIInChI=1S/C26H17N3O2.C2H4/c1-28-25(30)18-8-6-11-23(24(18)26(28)31)29-21-10-3-2-7-17(21)19-15-16(12-13-22(19)29)20-9-4-5-14-27-20;1-2/h2-15H,1H3;1-2H2
InChIKeyIXBAMTCMOGLICJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.87
Rot. Bonds2

About ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione

ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 142280561) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Nameethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
PubChem CID142280561
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Nameethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESC=C.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccccn5)ccc43)c2C1=O
InChIInChI=1S/C26H17N3O2.C2H4/c1-28-25(30)18-8-6-11-23(24(18)26(28)31)29-21-10-3-2-7-17(21)19-15-16(12-13-22(19)29)20-9-4-5-14-27-20;1-2/h2-15H,1H3;1-2H2
InChIKeyIXBAMTCMOGLICJ-UHFFFAOYSA-N
XLogP5.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,8-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;2-methyl-4-(1-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161213383
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-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 158393455
2-methyl-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]isoindole-1,3-dione
CID 157300764
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-3-pyridin-2-ylphenyl]-3-phenylcarbazole
CID 138663031
4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-methylisoindole-1,3-dione;ethane
CID 142280558
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
6-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134235079
6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134234685

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione (CID 142280561) is ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione is C=C.CN1C(=O)c2cccc(-n3c4ccccc4c4cc(-c5ccccn5)ccc43)c2C1=O.
What is the InChIKey of ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is IXBAMTCMOGLICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2.C2H4/c1-28-25(30)18-8-6-11-23(24(18)26(28)31)29-21-10-3-2-7-17(21)19-15-16(12-13-22(19)29)20-9-4-5-14-27-20;1-2/h2-15H,1H3;1-2H2.
What are the key properties of ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione?
ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 431.50 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 142280561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).