4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile

C146H80N14O6 — CID 158959616

IUPAC4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1
InChIInChI=1S/C54H28N6O2.2C46H26N4O2/c1-57-38-24-26-40(47(30-38)58-2)42-17-10-19-44-43-18-9-16-41(39-25-22-33(31-55)28-37(39)32-56)51(43)59(52(42)44)49-21-11-20-45-50(49)54(62)60(53(45)61)48-27-23-36(34-12-5-3-6-13-34)29-46(48)35-14-7-4-8-15-35;1-47-32-24-25-33(39(28-32)48-2)35-18-11-19-36-34-17-9-10-21-40(34)49(44(35)36)42-22-12-20-37-43(42)46(52)50(45(37)51)41-26-23-31(29-13-5-3-6-14-29)27-38(41)30-15-7-4-8-16-30;1-48-34-21-23-35(33(25-34)28-47)32-19-22-37-36-15-8-9-17-40(36)49(43(37)27-32)42-18-10-16-38-44(42)46(52)50(45(38)51)41-24-20-31(29-11-4-2-5-12-29)26-39(41)30-13-6-3-7-14-30/h3-30H;3-28H;2-27H
InChIKeyJMLJUUPYIUKEQT-UHFFFAOYSA-N
MW2126.34 g/mol
LogP35.79
Rot. Bonds16

About 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile

4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile (PubChem CID 158959616) has the molecular formula C146H80N14O6 and a molecular weight of 2126.34 g/mol. Its IUPAC name is 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Name4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
PubChem CID158959616
Molecular FormulaC146H80N14O6
Molecular Weight2126.34 g/mol
Exact Mass2124.64
IUPAC Name4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1
InChIInChI=1S/C54H28N6O2.2C46H26N4O2/c1-57-38-24-26-40(47(30-38)58-2)42-17-10-19-44-43-18-9-16-41(39-25-22-33(31-55)28-37(39)32-56)51(43)59(52(42)44)49-21-11-20-45-50(49)54(62)60(53(45)61)48-27-23-36(34-12-5-3-6-13-34)29-46(48)35-14-7-4-8-15-35;1-47-32-24-25-33(39(28-32)48-2)35-18-11-19-36-34-17-9-10-21-40(34)49(44(35)36)42-22-12-20-37-43(42)46(52)50(45(37)51)41-26-23-31(29-13-5-3-6-14-29)27-38(41)30-15-7-4-8-16-30;1-48-34-21-23-35(33(25-34)28-47)32-19-22-37-36-15-8-9-17-40(36)49(43(37)27-32)42-18-10-16-38-44(42)46(52)50(45(38)51)41-24-20-31(29-11-4-2-5-12-29)26-39(41)30-13-6-3-7-14-30/h3-30H;3-28H;2-27H
InChIKeyJMLJUUPYIUKEQT-UHFFFAOYSA-N
XLogP35.79
TPSA220.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002126.34
LogP ≤ 535.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile with MolForge

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Related Compounds

4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 159756357
4-[6-(2-cyano-4-isocyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 160533574
2-(2,4-diphenylphenyl)-4-[2-(4-isocyanophenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158329082
9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-6-isocyanocarbazole-3-carbonitrile;9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-7-isocyanocarbazole-2-carbonitrile;9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-8-isocyanocarbazole-1-carbonitrile;4-(1-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
CID 158775176
4-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234676
4-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 161410544
acetonitrile;3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzonitrile
CID 142280776
3-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]-6-(4-isocyano-3-pyridinyl)carbazol-3-yl]pyridine-4-carbonitrile
CID 159001392
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
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
4-[9-[1,3-dioxo-2-(2,4,6-triphenylphenyl)isoindol-4-yl]-8-(4-isocyanophenyl)carbazol-1-yl]benzonitrile
CID 158897470
4-[9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]-3-isocyanobenzonitrile
CID 155636724

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The IUPAC name of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile (CID 158959616) is 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile.
What is the SMILES notation for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The canonical SMILES for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile is [C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccc(-c6ccccc6)cc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.
What is the InChIKey of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The InChIKey is JMLJUUPYIUKEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H28N6O2.2C46H26N4O2/c1-57-38-24-26-40(47(30-38)58-2)42-17-10-19-44-43-18-9-16-41(39-25-22-33(31-55)28-37(39)32-56)51(43)59(52(42)44)49-21-11-20-45-50(49)54(62)60(53(45)61)48-27-23-36(34-12-5-3-6-13-34)29-46(48)35-14-7-4-8-15-35;1-47-32-24-25-33(39(28-32)48-2)35-18-11-19-36-34-17-9-10-21-40(34)49(44(35)36)42-22-12-20-37-43(42)46(52)50(45(37)51)41-26-23-31(29-13-5-3-6-14-29)27-38(41)30-15-7-4-8-16-30;1-48-34-21-23-35(33(25-34)28-47)32-19-22-37-36-15-8-9-17-40(36)49(43(37)27-32)42-18-10-16-38-44(42)46(52)50(45(38)51)41-24-20-31(29-11-4-2-5-12-29)26-39(41)30-13-6-3-7-14-30/h3-30H;3-28H;2-27H.
What are the key properties of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile has a molecular weight of 2126.34 g/mol, XLogP of 35.79, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile is sourced from PubChem (CID 158959616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).