7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one

C42H28N4O2 — CID 134241213

IUPAC7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)C(O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C42H28N4O2/c47-41-34-10-5-11-39(40(34)42(48)45(41)33-9-4-8-30(24-33)27-6-2-1-3-7-27)46-37-14-12-31(28-16-20-43-21-17-28)25-35(37)36-26-32(13-15-38(36)46)29-18-22-44-23-19-29/h1-26,41,47H
InChIKeyDWWIMGCGYLCPIR-UHFFFAOYSA-N
MW620.71 g/mol
LogP9.23
Rot. Bonds5

About 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one

7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one (PubChem CID 134241213) has the molecular formula C42H28N4O2 and a molecular weight of 620.71 g/mol. Its IUPAC name is 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
PubChem CID134241213
Molecular FormulaC42H28N4O2
Molecular Weight620.71 g/mol
Exact Mass620.22
IUPAC Name7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)C(O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C42H28N4O2/c47-41-34-10-5-11-39(40(34)42(48)45(41)33-9-4-8-30(24-33)27-6-2-1-3-7-27)46-37-14-12-31(28-16-20-43-21-17-28)25-35(37)36-26-32(13-15-38(36)46)29-18-22-44-23-19-29/h1-26,41,47H
InChIKeyDWWIMGCGYLCPIR-UHFFFAOYSA-N
XLogP9.23
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
7-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234638
7-(3-tert-butylcarbazol-9-yl)-3-hydroxy-2-(4-phenylphenyl)-3H-isoindol-1-one
CID 166989433
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one
CID 166989746
5-[8-(5-cyano-3-pyridinyl)-9-[1-hydroxy-3-oxo-2-(3-phenylphenyl)-1H-isoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241091
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
7-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134234730
7-(2,7-dimethylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989740
7-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 166989754
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-[7-(3-cyanophenyl)-9-[1-hydroxy-3-oxo-2-(2,4,6-triphenylphenyl)-1H-isoindol-4-yl]carbazol-2-yl]benzonitrile
CID 166989456
7-(1,8-diphenylcarbazol-9-yl)-2-(2,6-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241006

Frequently Asked Questions

What is the IUPAC name of 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The IUPAC name of 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one (CID 134241213) is 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The canonical SMILES for 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one is O=C1c2c(cccc2-n2c3ccc(-c4ccncc4)cc3c3cc(-c4ccncc4)ccc32)C(O)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
The InChIKey is DWWIMGCGYLCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O2/c47-41-34-10-5-11-39(40(34)42(48)45(41)33-9-4-8-30(24-33)27-6-2-1-3-7-27)46-37-14-12-31(28-16-20-43-21-17-28)25-35(37)36-26-32(13-15-38(36)46)29-18-22-44-23-19-29/h1-26,41,47H.
What are the key properties of 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one?
7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one has a molecular weight of 620.71 g/mol, XLogP of 9.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,6-dipyridin-4-ylcarbazol-9-yl)-3-hydroxy-2-(3-phenylphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 134241213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).