4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

C46H30N2O4 — CID 134234181

IUPAC4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1cc(C(O)c3ccccc3)ccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C46H30N2O4/c49-43(31-13-6-2-7-14-31)33-21-25-39-37(27-33)38-28-34(44(50)32-15-8-3-9-16-32)22-26-40(38)48(39)41-18-10-17-36-42(41)46(52)47(45(36)51)35-23-19-30(20-24-35)29-11-4-1-5-12-29/h1-28,43,49H
InChIKeyAOMWSLGNYKHJLV-UHFFFAOYSA-N
MW674.76 g/mol
LogP9.56
Rot. Bonds7

About 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione

4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (PubChem CID 134234181) has the molecular formula C46H30N2O4 and a molecular weight of 674.76 g/mol. Its IUPAC name is 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
PubChem CID134234181
Molecular FormulaC46H30N2O4
Molecular Weight674.76 g/mol
Exact Mass674.22
IUPAC Name4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
SMILESO=C(c1ccccc1)c1ccc2c(c1)c1cc(C(O)c3ccccc3)ccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C46H30N2O4/c49-43(31-13-6-2-7-14-31)33-21-25-39-37(27-33)38-28-34(44(50)32-15-8-3-9-16-32)22-26-40(38)48(39)41-18-10-17-36-42(41)46(52)47(45(36)51)35-23-19-30(20-24-35)29-11-4-1-5-12-29/h1-28,43,49H
InChIKeyAOMWSLGNYKHJLV-UHFFFAOYSA-N
XLogP9.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.76
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazole-4,5-dicarbonitrile
CID 134243273
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597
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 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione (CID 134234181) is 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is O=C(c1ccccc1)c1ccc2c(c1)c1cc(C(O)c3ccccc3)ccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
The InChIKey is AOMWSLGNYKHJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O4/c49-43(31-13-6-2-7-14-31)33-21-25-39-37(27-33)38-28-34(44(50)32-15-8-3-9-16-32)22-26-40(38)48(39)41-18-10-17-36-42(41)46(52)47(45(36)51)35-23-19-30(20-24-35)29-11-4-1-5-12-29/h1-28,43,49H.
What are the key properties of 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione?
4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione has a molecular weight of 674.76 g/mol, XLogP of 9.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-benzoyl-6-[hydroxy(phenyl)methyl]carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).