4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione

C54H34N4O4 — CID 118972459

IUPAC4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)cc1C
InChIInChI=1S/C54H34N4O4/c1-31-29-33(55-51(59)41-17-11-23-47(49(41)53(55)61)57-43-19-7-3-13-37(43)38-14-4-8-20-44(38)57)25-27-35(31)36-28-26-34(30-32(36)2)56-52(60)42-18-12-24-48(50(42)54(56)62)58-45-21-9-5-15-39(45)40-16-6-10-22-46(40)58/h3-30H,1-2H3
InChIKeyMCTVGIICDZRVBF-UHFFFAOYSA-N
MW802.89 g/mol
LogP11.77
Rot. Bonds5

About 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione

4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione (PubChem CID 118972459) has the molecular formula C54H34N4O4 and a molecular weight of 802.89 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
PubChem CID118972459
Molecular FormulaC54H34N4O4
Molecular Weight802.89 g/mol
Exact Mass802.26
IUPAC Name4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)cc1C
InChIInChI=1S/C54H34N4O4/c1-31-29-33(55-51(59)41-17-11-23-47(49(41)53(55)61)57-43-19-7-3-13-37(43)38-14-4-8-20-44(38)57)25-27-35(31)36-28-26-34(30-32(36)2)56-52(60)42-18-12-24-48(50(42)54(56)62)58-45-21-9-5-15-39(45)40-16-6-10-22-46(40)58/h3-30H,1-2H3
InChIKeyMCTVGIICDZRVBF-UHFFFAOYSA-N
XLogP11.77
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.89
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
CID 148507420
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
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
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-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234405
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234597

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione (CID 118972459) is 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)ccc1-c1ccc(N2C(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3C2=O)cc1C.
What is the InChIKey of 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
The InChIKey is MCTVGIICDZRVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O4/c1-31-29-33(55-51(59)41-17-11-23-47(49(41)53(55)61)57-43-19-7-3-13-37(43)38-14-4-8-20-44(38)57)25-27-35(31)36-28-26-34(30-32(36)2)56-52(60)42-18-12-24-48(50(42)54(56)62)58-45-21-9-5-15-39(45)40-16-6-10-22-46(40)58/h3-30H,1-2H3.
What are the key properties of 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione?
4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione has a molecular weight of 802.89 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).