4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C206H130N14O8 — CID 157181089

IUPAC4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4c(-c5ccncc5)cccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C54H34N4O2.2C49H31N3O2/c59-53-45-17-10-18-48(57-49-33-40(36-23-27-55-28-24-36)19-21-43(49)44-22-20-41(34-50(44)57)37-25-29-56-30-26-37)51(45)54(60)58(53)52-46(38-13-6-2-7-14-38)31-42(35-11-4-1-5-12-35)32-47(52)39-15-8-3-9-16-39;59-53-43-17-10-18-50(57-48-21-19-40(36-23-27-55-28-24-36)31-46(48)47-32-41(20-22-49(47)57)37-25-29-56-30-26-37)51(43)54(60)58(53)52-44(38-13-6-2-7-14-38)33-42(35-11-4-1-5-12-35)34-45(52)39-15-8-3-9-16-39;53-48-39-22-13-25-44(51-42-23-11-10-20-38(42)45-37(21-12-24-43(45)51)35-26-28-50-29-27-35)46(39)49(54)52(48)47-40(33-16-6-2-7-17-33)30-36(32-14-4-1-5-15-32)31-41(47)34-18-8-3-9-19-34;53-48-39-20-12-22-45(51-43-21-11-10-19-38(43)42-29-36(23-24-44(42)51)33-25-27-50-28-26-33)46(39)49(54)52(48)47-40(34-15-6-2-7-16-34)30-37(32-13-4-1-5-14-32)31-41(47)35-17-8-3-9-18-35/h2*1-34H;2*1-31H
InChIKeyAOOPDWWDSRKLRO-UHFFFAOYSA-N
MW2929.40 g/mol
LogP48.71
Rot. Bonds26

About 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 157181089) has the molecular formula C206H130N14O8 and a molecular weight of 2929.40 g/mol. Its IUPAC name is 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
PubChem CID157181089
Molecular FormulaC206H130N14O8
Molecular Weight2929.40 g/mol
Exact Mass2927.02
IUPAC Name4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4c(-c5ccncc5)cccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C54H34N4O2.2C49H31N3O2/c59-53-45-17-10-18-48(57-49-33-40(36-23-27-55-28-24-36)19-21-43(49)44-22-20-41(34-50(44)57)37-25-29-56-30-26-37)51(45)54(60)58(53)52-46(38-13-6-2-7-14-38)31-42(35-11-4-1-5-12-35)32-47(52)39-15-8-3-9-16-39;59-53-43-17-10-18-50(57-48-21-19-40(36-23-27-55-28-24-36)31-46(48)47-32-41(20-22-49(47)57)37-25-29-56-30-26-37)51(43)54(60)58(53)52-44(38-13-6-2-7-14-38)33-42(35-11-4-1-5-12-35)34-45(52)39-15-8-3-9-16-39;53-48-39-22-13-25-44(51-42-23-11-10-20-38(42)45-37(21-12-24-43(45)51)35-26-28-50-29-27-35)46(39)49(54)52(48)47-40(33-16-6-2-7-17-33)30-36(32-14-4-1-5-15-32)31-41(47)34-18-8-3-9-19-34;53-48-39-20-12-22-45(51-43-21-11-10-19-38(43)42-29-36(23-24-44(42)51)33-25-27-50-28-26-33)46(39)49(54)52(48)47-40(34-15-6-2-7-16-34)30-37(32-13-4-1-5-14-32)31-41(47)35-17-8-3-9-18-35/h2*1-34H;2*1-31H
InChIKeyAOOPDWWDSRKLRO-UHFFFAOYSA-N
XLogP48.71
TPSA246.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.40
LogP ≤ 548.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 157181089) is 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4cc(-c5ccncc5)ccc4c4ccc(-c5ccncc5)cc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccc(-c5ccncc5)cc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4c(-c5ccncc5)cccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.O=C1c2cccc(-n3c4ccccc4c4cc(-c5ccncc5)ccc43)c2C(=O)N1c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
The InChIKey is AOOPDWWDSRKLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N4O2.2C49H31N3O2/c59-53-45-17-10-18-48(57-49-33-40(36-23-27-55-28-24-36)19-21-43(49)44-22-20-41(34-50(44)57)37-25-29-56-30-26-37)51(45)54(60)58(53)52-46(38-13-6-2-7-14-38)31-42(35-11-4-1-5-12-35)32-47(52)39-15-8-3-9-16-39;59-53-43-17-10-18-50(57-48-21-19-40(36-23-27-55-28-24-36)31-46(48)47-32-41(20-22-49(47)57)37-25-29-56-30-26-37)51(43)54(60)58(53)52-44(38-13-6-2-7-14-38)33-42(35-11-4-1-5-12-35)34-45(52)39-15-8-3-9-16-39;53-48-39-22-13-25-44(51-42-23-11-10-20-38(42)45-37(21-12-24-43(45)51)35-26-28-50-29-27-35)46(39)49(54)52(48)47-40(33-16-6-2-7-17-33)30-36(32-14-4-1-5-15-32)31-41(47)34-18-8-3-9-19-34;53-48-39-20-12-22-45(51-43-21-11-10-19-38(43)42-29-36(23-24-44(42)51)33-25-27-50-28-26-33)46(39)49(54)52(48)47-40(34-15-6-2-7-16-34)30-37(32-13-4-1-5-14-32)31-41(47)35-17-8-3-9-18-35/h2*1-34H;2*1-31H.
What are the key properties of 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?
4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 2929.40 g/mol, XLogP of 48.71, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3,6-dipyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(3-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-(4-pyridin-4-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 157181089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).