4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione

C142H96N6O6 — CID 158655472

IUPAC4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c3c2)cc1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1
InChIInChI=1S/C52H36N2O2.2C45H30N2O2/c1-33-22-26-37(27-23-33)41-16-9-18-43-44-19-10-17-42(38-28-24-34(2)25-29-38)50(44)53(49(41)43)46-21-11-20-45-48(46)52(56)54(51(45)55)47-32-39(35-12-5-3-6-13-35)30-31-40(47)36-14-7-4-8-15-36;1-29-22-24-32(25-23-29)35-17-10-18-37-36-16-8-9-20-39(36)46(43(35)37)40-21-11-19-38-42(40)45(49)47(44(38)48)41-28-33(30-12-4-2-5-13-30)26-27-34(41)31-14-6-3-7-15-31;1-29-19-21-31(22-20-29)34-24-26-37-36-15-8-9-17-39(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)41-27-33(30-11-4-2-5-12-30)23-25-35(41)32-13-6-3-7-14-32/h3-32H,1-2H3;2*2-28H,1H3
InChIKeyICBQLXUFBOVBCT-UHFFFAOYSA-N
MW1982.37 g/mol
LogP34.66
Rot. Bonds16

About 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione

4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione (PubChem CID 158655472) has the molecular formula C142H96N6O6 and a molecular weight of 1982.37 g/mol. Its IUPAC name is 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
PubChem CID158655472
Molecular FormulaC142H96N6O6
Molecular Weight1982.37 g/mol
Exact Mass1980.74
IUPAC Name4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c3c2)cc1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1
InChIInChI=1S/C52H36N2O2.2C45H30N2O2/c1-33-22-26-37(27-23-33)41-16-9-18-43-44-19-10-17-42(38-28-24-34(2)25-29-38)50(44)53(49(41)43)46-21-11-20-45-48(46)52(56)54(51(45)55)47-32-39(35-12-5-3-6-13-35)30-31-40(47)36-14-7-4-8-15-36;1-29-22-24-32(25-23-29)35-17-10-18-37-36-16-8-9-20-39(36)46(43(35)37)40-21-11-19-38-42(40)45(49)47(44(38)48)41-28-33(30-12-4-2-5-13-30)26-27-34(41)31-14-6-3-7-15-31;1-29-19-21-31(22-20-29)34-24-26-37-36-15-8-9-17-39(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)41-27-33(30-11-4-2-5-12-30)23-25-35(41)32-13-6-3-7-14-32/h3-32H,1-2H3;2*2-28H,1H3
InChIKeyICBQLXUFBOVBCT-UHFFFAOYSA-N
XLogP34.66
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001982.37
LogP ≤ 534.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione with MolForge

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Related Compounds

4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-(1,8-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2-phenylphenyl)-4-(3-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 161343523
4-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 134235015
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
2-(2,5-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 134241101
2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
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
2-(2,3-diphenylphenyl)-4-(1,8-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2,7-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(3,5-diphenylphenyl)-4-(3,6-dipyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(1-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione;2-(2,3-diphenylphenyl)-4-(2-pyridin-4-ylcarbazol-9-yl)isoindole-1,3-dione
CID 160733873
4-[1-(3,5-dimethylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234482

Frequently Asked Questions

What is the IUPAC name of 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?
The IUPAC name of 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione (CID 158655472) is 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?
The canonical SMILES for 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c3c2)cc1.Cc1ccc(-c2cccc3c4cccc(-c5ccc(C)cc5)c4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1.Cc1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)ccc4-c4ccccc4)C5=O)c23)cc1.
What is the InChIKey of 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?
The InChIKey is ICBQLXUFBOVBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2.2C45H30N2O2/c1-33-22-26-37(27-23-33)41-16-9-18-43-44-19-10-17-42(38-28-24-34(2)25-29-38)50(44)53(49(41)43)46-21-11-20-45-48(46)52(56)54(51(45)55)47-32-39(35-12-5-3-6-13-35)30-31-40(47)36-14-7-4-8-15-36;1-29-22-24-32(25-23-29)35-17-10-18-37-36-16-8-9-20-39(36)46(43(35)37)40-21-11-19-38-42(40)45(49)47(44(38)48)41-28-33(30-12-4-2-5-13-30)26-27-34(41)31-14-6-3-7-15-31;1-29-19-21-31(22-20-29)34-24-26-37-36-15-8-9-17-39(36)46(42(37)28-34)40-18-10-16-38-43(40)45(49)47(44(38)48)41-27-33(30-11-4-2-5-12-30)23-25-35(41)32-13-6-3-7-14-32/h3-32H,1-2H3;2*2-28H,1H3.
What are the key properties of 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione?
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione has a molecular weight of 1982.37 g/mol, XLogP of 34.66, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione is sourced from PubChem (CID 158655472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).