4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one

C46H34N2O2 — CID 166989746

IUPAC4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cccc2c1C(O)N(c1cccc(-c3ccccc3)c1)C2=O
InChIInChI=1S/C46H34N2O2/c1-29-12-6-8-18-36(29)33-22-24-41-39(27-33)40-28-34(37-19-9-7-13-30(37)2)23-25-42(40)48(41)43-21-11-20-38-44(43)46(50)47(45(38)49)35-17-10-16-32(26-35)31-14-4-3-5-15-31/h3-28,46,50H,1-2H3
InChIKeyTVQGNVACGMSONJ-UHFFFAOYSA-N
MW646.79 g/mol
LogP11.05
Rot. Bonds5

About 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one

4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one (PubChem CID 166989746) has the molecular formula C46H34N2O2 and a molecular weight of 646.79 g/mol. Its IUPAC name is 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
PubChem CID166989746
Molecular FormulaC46H34N2O2
Molecular Weight646.79 g/mol
Exact Mass646.26
IUPAC Name4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
SMILESCc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cccc2c1C(O)N(c1cccc(-c3ccccc3)c1)C2=O
InChIInChI=1S/C46H34N2O2/c1-29-12-6-8-18-36(29)33-22-24-41-39(27-33)40-28-34(37-19-9-7-13-30(37)2)23-25-42(40)48(41)43-21-11-20-38-44(43)46(50)47(45(38)49)35-17-10-16-32(26-35)31-14-4-3-5-15-31/h3-28,46,50H,1-2H3
InChIKeyTVQGNVACGMSONJ-UHFFFAOYSA-N
XLogP11.05
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3-hydroxy-1-oxo-2-(3-phenylphenyl)-3H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989480
3-hydroxy-2-(4-phenylphenyl)-4-[3-(trifluoromethyl)carbazol-9-yl]-3H-isoindol-1-one
CID 138614945
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241213
7-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 134241228
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
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
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The IUPAC name of 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one (CID 166989746) is 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one is Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2-c1cccc2c1C(O)N(c1cccc(-c3ccccc3)c1)C2=O.
What is the InChIKey of 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The InChIKey is TVQGNVACGMSONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O2/c1-29-12-6-8-18-36(29)33-22-24-41-39(27-33)40-28-34(37-19-9-7-13-30(37)2)23-25-42(40)48(41)43-21-11-20-38-44(43)46(50)47(45(38)49)35-17-10-16-32(26-35)31-14-4-3-5-15-31/h3-28,46,50H,1-2H3.
What are the key properties of 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one has a molecular weight of 646.79 g/mol, XLogP of 11.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 166989746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).