3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

C200H116N20O8 — CID 158618476

About 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione

3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (PubChem CID 158618476) has the molecular formula C200H116N20O8 and a molecular weight of 2927.26 g/mol. Its IUPAC name is 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• PubChem CID: 158618476
• Molecular Formula: C200H116N20O8
• Molecular Weight: 2927.26 g/mol
• Exact Mass: 2924.93
• IUPAC Name: 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
• SMILES: N#Cc1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c1c1c(-c3cnccc3C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c3cccc(-c4cnccc4C#N)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12.[C-]#[N+]c1ccncc1-c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12
• InChI: InChI=1S/C56H32N6O2.C50H28N6O2.C50H30N4O2.C44H26N4O2/c1-58-49-27-29-60-34-48(49)43-23-12-21-41-40-20-11-22-42(47-33-59-28-26-38(47)32-57)52(40)61(53(41)43)50-25-13-24-44-51(50)56(64)62(55(44)63)54-45(36-16-7-3-8-17-36)30-39(35-14-5-2-6-15-35)31-46(54)37-18-9-4-10-19-37;1-52-41-24-26-54-30-40(41)36-16-9-19-44-47(36)46-35(39-29-53-25-23-34(39)28-51)15-8-18-43(46)55(44)45-20-10-17-37-48(45)50(58)56(49(37)57)42-22-21-33(31-11-4-2-5-12-31)27-38(42)32-13-6-3-7-14-32;1-51-43-27-28-52-31-42(43)38-23-13-22-37-36-21-11-12-25-44(36)53(47(37)38)45-26-14-24-39-46(45)50(56)54(49(39)55)48-40(33-17-7-3-8-18-33)29-35(32-15-5-2-6-16-32)30-41(48)34-19-9-4-10-20-34;45-26-31-23-24-46-27-36(31)32-16-9-19-39-41(32)33-15-7-8-18-37(33)47(39)40-20-10-17-34-42(40)44(50)48(43(34)49)38-22-21-30(28-11-3-1-4-12-28)25-35(38)29-13-5-2-6-14-29/h2-31,33-34H;2-27,29-30H;2-31H;1-25,27H
• InChIKey: HXROZURKDKINQV-UHFFFAOYSA-N
• XLogP: 46.65
• TPSA: 331.03 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2927.26
LogP ≤ 5	46.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The IUPAC name of 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione (CID 158618476) is 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is N#Cc1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c1c1c(-c3cnccc3C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccc(-c3ccccc3)cc1-c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c3cccc(-c4cnccc4C#N)c3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12.[C-]#[N+]c1ccncc1-c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3c(-c5ccccc5)cc(-c5ccccc5)cc3-c3ccccc3)C4=O)c12.

What is the InChIKey of 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

The InChIKey is HXROZURKDKINQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6O2.C50H28N6O2.C50H30N4O2.C44H26N4O2/c1-58-49-27-29-60-34-48(49)43-23-12-21-41-40-20-11-22-42(47-33-59-28-26-38(47)32-57)52(40)61(53(41)43)50-25-13-24-44-51(50)56(64)62(55(44)63)54-45(36-16-7-3-8-17-36)30-39(35-14-5-2-6-15-35)31-46(54)37-18-9-4-10-19-37;1-52-41-24-26-54-30-40(41)36-16-9-19-44-47(36)46-35(39-29-53-25-23-34(39)28-51)15-8-18-43(46)55(44)45-20-10-17-37-48(45)50(58)56(49(37)57)42-22-21-33(31-11-4-2-5-12-31)27-38(42)32-13-6-3-7-14-32;1-51-43-27-28-52-31-42(43)38-23-13-22-37-36-21-11-12-25-44(36)53(47(37)38)45-26-14-24-39-46(45)50(56)54(49(39)55)48-40(33-17-7-3-8-18-33)29-35(32-15-5-2-6-16-32)30-41(48)34-19-9-4-10-20-34;45-26-31-23-24-46-27-36(31)32-16-9-19-39-41(32)33-15-7-8-18-37(33)47(39)40-20-10-17-34-42(40)44(50)48(43(34)49)38-22-21-30(28-11-3-1-4-12-28)25-35(38)29-13-5-2-6-14-29/h2-31,33-34H;2-27,29-30H;2-31H;1-25,27H.

What are the key properties of 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione?

3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione has a molecular weight of 2927.26 g/mol, XLogP of 46.65, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyano-3-pyridinyl)carbazol-1-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-4-yl]pyridine-4-carbonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;4-[1-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 158618476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).