6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C37H24N2O4 — CID 58969711

IUPAC6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24N2O4/c1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40/h3-20H,1-2H3
InChIKeyOBROOYNHZPONDK-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.11
Rot. Bonds3

About 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 58969711) has the molecular formula C37H24N2O4 and a molecular weight of 560.61 g/mol. Its IUPAC name is 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID58969711
Molecular FormulaC37H24N2O4
Molecular Weight560.61 g/mol
Exact Mass560.17
IUPAC Name6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24N2O4/c1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40/h3-20H,1-2H3
InChIKeyOBROOYNHZPONDK-UHFFFAOYSA-N
XLogP5.11
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22949757
6-methyl-13-[4-(4-methylphenoxy)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;6-methyl-13-[4-(4-methylphenyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2-methyl-5-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;6-methyl-2-[4-(4-methylphenyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 159300495
6-methyl-2-[4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 140966690
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
7-methyl-17-[4-(4-methylphenoxy)phenyl]-2-thia-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,12,16,18-pentone
CID 59344047
2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 59705832
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758
3-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167052770
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 58969711) is 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(C2(c3ccc(-n4c(=O)c5cc6c(=O)n(C)c(=O)c6cc5c4=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is OBROOYNHZPONDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O4/c1-21-11-13-22(14-12-21)37(31-9-5-3-7-25(31)26-8-4-6-10-32(26)37)23-15-17-24(18-16-23)39-35(42)29-19-27-28(20-30(29)36(39)43)34(41)38(2)33(27)40/h3-20H,1-2H3.
What are the key properties of 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 560.61 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 58969711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).