4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile

C44H26N4 — CID 155604271

IUPAC4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c1-46-39-26-29(28-45)25-38(44(39)48-42-19-8-4-15-36(42)37-16-5-9-20-43(37)48)32-12-10-11-31(27-32)30-21-23-33(24-22-30)47-40-17-6-2-13-34(40)35-14-3-7-18-41(35)47/h2-27H
InChIKeyRBCYYDXUKQZWPC-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.64
Rot. Bonds4

About 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile

4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile (PubChem CID 155604271) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile
PubChem CID155604271
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C44H26N4/c1-46-39-26-29(28-45)25-38(44(39)48-42-19-8-4-15-36(42)37-16-5-9-20-43(37)48)32-12-10-11-31(27-32)30-21-23-33(24-22-30)47-40-17-6-2-13-34(40)35-14-3-7-18-41(35)47/h2-27H
InChIKeyRBCYYDXUKQZWPC-UHFFFAOYSA-N
XLogP11.64
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-4-cyano-6-isocyanophenyl]carbazole-3-carbonitrile
CID 155603768
4-carbazol-9-yl-3-[4-cyano-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-isocyanobenzonitrile
CID 163449231
4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 140827081
9-[4-[3-[3-isocyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604697
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-6-isocyanophenyl]carbazole-3,5-dicarbonitrile
CID 155605019
9-[4-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155603718
2-(2-carbazol-9-yl-3-isocyanophenyl)-5-(4-carbazol-9-ylphenyl)benzonitrile
CID 155604937
4-carbazol-9-yl-3-isocyano-5-(4-triphenylsilylphenyl)benzonitrile
CID 153318635
3-(4-carbazol-9-ylphenyl)-5-isocyano-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336190
9-[3-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155604444
9-[3-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155603959
3-[4-carbazol-9-yl-3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile;9-[2-(4-carbazol-9-ylphenyl)-6-isocyano-4-phenylphenyl]-3-isocyanocarbazole;9-[4-(2-carbazol-9-yl-5-phenylphenyl)-2-cyanophenyl]carbazole-3-carbonitrile;9-[2-cyano-4-[2-(3-isocyanocarbazol-9-yl)-5-phenylphenyl]phenyl]carbazole-3-carbonitrile
CID 165053501

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile?
The IUPAC name of 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile (CID 155604271) is 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile.
What is the SMILES notation for 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile?
The canonical SMILES for 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile is [C-]#[N+]c1cc(C#N)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile?
The InChIKey is RBCYYDXUKQZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-46-39-26-29(28-45)25-38(44(39)48-42-19-8-4-15-36(42)37-16-5-9-20-43(37)48)32-12-10-11-31(27-32)30-21-23-33(24-22-30)47-40-17-6-2-13-34(40)35-14-3-7-18-41(35)47/h2-27H.
What are the key properties of 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile?
4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile has a molecular weight of 610.72 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-isocyanobenzonitrile is sourced from PubChem (CID 155604271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).