5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine

C39H27N5O2 — CID 142280805

IUPAC5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
SMILESCN.N#Cc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2)C3=O)c1
InChIInChI=1S/C38H22N4O2.CH5N/c39-21-24-18-28(23-40-22-24)27-16-17-34-32(20-27)30-12-4-5-14-33(30)42(34)35-15-7-13-31-36(35)38(44)41(37(31)43)29-11-6-10-26(19-29)25-8-2-1-3-9-25;1-2/h1-20,22-23H;2H2,1H3
InChIKeyGUBQDIXUENMFLM-UHFFFAOYSA-N
MW597.68 g/mol
LogP7.76
Rot. Bonds4

About 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine

5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine (PubChem CID 142280805) has the molecular formula C39H27N5O2 and a molecular weight of 597.68 g/mol. Its IUPAC name is 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine.

Molecular Properties

Compound Name5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
PubChem CID142280805
Molecular FormulaC39H27N5O2
Molecular Weight597.68 g/mol
Exact Mass597.22
IUPAC Name5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
SMILESCN.N#Cc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2)C3=O)c1
InChIInChI=1S/C38H22N4O2.CH5N/c39-21-24-18-28(23-40-22-24)27-16-17-34-32(20-27)30-12-4-5-14-33(30)42(34)35-15-7-13-31-36(35)38(44)41(37(31)43)29-11-6-10-26(19-29)25-8-2-1-3-9-25;1-2/h1-20,22-23H;2H2,1H3
InChIKeyGUBQDIXUENMFLM-UHFFFAOYSA-N
XLogP7.76
TPSA105.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.68
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(5-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-3-carbonitrile
CID 161354843
5-[7-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]pyridine-3-carbonitrile
CID 134235000
2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199
5-[8-(5-cyano-3-pyridinyl)-9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile;5-[9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile;5-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(5-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-3-carbonitrile;5-[9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(5-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-3-carbonitrile;5-[9-[2-(3,5-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-7-(5-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-3-carbonitrile;2-(3,5-diphenylphenyl)-4-[2-(5-isocyano-3-pyridinyl)carbazol-9-yl]isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-[3-(5-isocyano-3-pyridinyl)carbazol-9-yl]isoindole-1,3-dione
CID 161354839
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134234299
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
5-[8-(5-cyano-3-pyridinyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]pyridine-3-carbonitrile
CID 134241118
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
6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134234685
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699

Frequently Asked Questions

What is the IUPAC name of 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine?
The IUPAC name of 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine (CID 142280805) is 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine.
What is the SMILES notation for 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine?
The canonical SMILES for 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine is CN.N#Cc1cncc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2)C3=O)c1.
What is the InChIKey of 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine?
The InChIKey is GUBQDIXUENMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2.CH5N/c39-21-24-18-28(23-40-22-24)27-16-17-34-32(20-27)30-12-4-5-14-33(30)42(34)35-15-7-13-31-36(35)38(44)41(37(31)43)29-11-6-10-26(19-29)25-8-2-1-3-9-25;1-2/h1-20,22-23H;2H2,1H3.
What are the key properties of 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine?
5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine has a molecular weight of 597.68 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine is sourced from PubChem (CID 142280805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).