9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile

C44H24N6 — CID 140713320

IUPAC9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
SMILES[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)n1
InChIInChI=1S/C44H24N6/c1-47-39-12-5-2-11-35(39)40-14-8-13-38(48-40)30-23-31(49-41-15-6-3-9-33(41)34-10-4-7-16-42(34)49)25-32(24-30)50-43-19-17-28(26-45)21-36(43)37-22-29(27-46)18-20-44(37)50/h2-25H
InChIKeyCGCUJCNKBYAOCU-UHFFFAOYSA-N
MW636.72 g/mol
LogP10.90
Rot. Bonds4

About 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile

9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 140713320) has the molecular formula C44H24N6 and a molecular weight of 636.72 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
PubChem CID140713320
Molecular FormulaC44H24N6
Molecular Weight636.72 g/mol
Exact Mass636.21
IUPAC Name9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile
SMILES[C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)n1
InChIInChI=1S/C44H24N6/c1-47-39-12-5-2-11-35(39)40-14-8-13-38(48-40)30-23-31(49-41-15-6-3-9-33(41)34-10-4-7-16-42(34)49)25-32(24-30)50-43-19-17-28(26-45)21-36(43)37-22-29(27-46)18-20-44(37)50/h2-25H
InChIKeyCGCUJCNKBYAOCU-UHFFFAOYSA-N
XLogP10.90
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.72
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[6-carbazol-9-yl-4-[6-(3-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[6-(4-cyanophenyl)-2-pyridinyl]-2-pyridinyl]carbazole-3,6-dicarbonitrile;9-[6-carbazol-9-yl-4-[3-(2-isocyanophenyl)phenyl]-2-pyridinyl]carbazole-3-carbonitrile
CID 158004247
9-[3-[6-isocyano-9-(2-isocyanophenyl)carbazol-1-yl]phenyl]carbazole-3-carbonitrile
CID 140760426
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
9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 162194032
9-[2-[3-[3-cyano-5-(1-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604028
9-[3-[2-[3-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 157137099
9-[2-[3-(5-carbazol-9-yl-2-isocyanophenyl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155603918
9-[3-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-4-isocyanophenyl]carbazole-3-carbonitrile
CID 155605038
9-[4-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604257
9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604005
9-[2-[5-(3-carbazol-9-ylphenyl)-2-isocyanophenyl]-6-isocyanophenyl]carbazole-3-carbonitrile
CID 155604680

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile (CID 140713320) is 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile is [C-]#[N+]c1ccccc1-c1cccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)c2)n1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is CGCUJCNKBYAOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N6/c1-47-39-12-5-2-11-35(39)40-14-8-13-38(48-40)30-23-31(49-41-15-6-3-9-33(41)34-10-4-7-16-42(34)49)25-32(24-30)50-43-19-17-28(26-45)21-36(43)37-22-29(27-46)18-20-44(37)50/h2-25H.
What are the key properties of 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile?
9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 636.72 g/mol, XLogP of 10.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[6-(2-isocyanophenyl)-2-pyridinyl]phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 140713320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).