methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione

C37H27N5O2 — CID 142280546

IUPACmethanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESCN.O=C1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H22N4O2.CH5N/c41-35-30-13-7-15-32(33(30)36(42)39(35)26-18-16-24(17-19-26)23-8-2-1-3-9-23)40-31-14-5-4-10-28(31)29-12-6-11-27(34(29)40)25-20-37-22-38-21-25;1-2/h1-22H;2H2,1H3
InChIKeyXNSRJSPHMCQDEW-UHFFFAOYSA-N
MW573.66 g/mol
LogP7.28
Rot. Bonds4

About methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione

methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione (PubChem CID 142280546) has the molecular formula C37H27N5O2 and a molecular weight of 573.66 g/mol. Its IUPAC name is methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione.

Molecular Properties

Compound Namemethanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
PubChem CID142280546
Molecular FormulaC37H27N5O2
Molecular Weight573.66 g/mol
Exact Mass573.22
IUPAC Namemethanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione
SMILESCN.O=C1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(=O)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H22N4O2.CH5N/c41-35-30-13-7-15-32(33(30)36(42)39(35)26-18-16-24(17-19-26)23-8-2-1-3-9-23)40-31-14-5-4-10-28(31)29-12-6-11-27(34(29)40)25-20-37-22-38-21-25;1-2/h1-22H;2H2,1H3
InChIKeyXNSRJSPHMCQDEW-UHFFFAOYSA-N
XLogP7.28
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.66
LogP ≤ 57.28
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

4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234505
2-(2,6-diphenylphenyl)-4-[1,8-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134241105
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234238
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-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134240974
5-[9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-3-carbonitrile;methanamine
CID 142280805
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
2-(2,6-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234558
4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134235007

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione?
The IUPAC name of methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione (CID 142280546) is methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione.
What is the SMILES notation for methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione?
The canonical SMILES for methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione is CN.O=C1c2cccc(-n3c4ccccc4c4cccc(-c5cncnc5)c43)c2C(=O)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione?
The InChIKey is XNSRJSPHMCQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2.CH5N/c41-35-30-13-7-15-32(33(30)36(42)39(35)26-18-16-24(17-19-26)23-8-2-1-3-9-23)40-31-14-5-4-10-28(31)29-12-6-11-27(34(29)40)25-20-37-22-38-21-25;1-2/h1-22H;2H2,1H3.
What are the key properties of methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione?
methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione has a molecular weight of 573.66 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(4-phenylphenyl)-4-(1-pyrimidin-5-ylcarbazol-9-yl)isoindole-1,3-dione is sourced from PubChem (CID 142280546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).