4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile

C27H18N4 — CID 153432833

IUPAC4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cncc(C#N)c1-c1c(C)cc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C27H18N4/c1-17-12-20(13-18(2)26(17)27-19(14-28)15-30-16-23(27)29-3)31-24-10-6-4-8-21(24)22-9-5-7-11-25(22)31/h4-13,15-16H,1-2H3
InChIKeyFHNWDTYUVKDMCH-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.89
Rot. Bonds2

About 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile

4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile (PubChem CID 153432833) has the molecular formula C27H18N4 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile
PubChem CID153432833
Molecular FormulaC27H18N4
Molecular Weight398.47 g/mol
Exact Mass398.15
IUPAC Name4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1cncc(C#N)c1-c1c(C)cc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C27H18N4/c1-17-12-20(13-18(2)26(17)27-19(14-28)15-30-16-23(27)29-3)31-24-10-6-4-8-21(24)22-9-5-7-11-25(22)31/h4-13,15-16H,1-2H3
InChIKeyFHNWDTYUVKDMCH-UHFFFAOYSA-N
XLogP6.89
TPSA45.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.89
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

5-isocyano-2-phenyl-3,4-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 170670790
2-[5,7-bis(2,6-dimethylphenyl)indolo[2,3-b]carbazol-6-yl]-3-isocyanobenzonitrile
CID 140877347
2-isocyano-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 123932337
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile
CID 162426491
5-carbazol-9-yl-2-isocyano-3-[4-(10-phenylanthracen-9-yl)phenyl]benzonitrile
CID 167336215
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
2,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140728568
5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 140903236
3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
2,5-bis(23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaen-23-yl)-4-isocyanobenzonitrile
CID 153462054
5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-carbazol-9-yl-3-isocyanobenzonitrile
CID 153462564
2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
CID 140877447

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile?
The IUPAC name of 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile (CID 153432833) is 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile?
The canonical SMILES for 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile is [C-]#[N+]c1cncc(C#N)c1-c1c(C)cc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile?
The InChIKey is FHNWDTYUVKDMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4/c1-17-12-20(13-18(2)26(17)27-19(14-28)15-30-16-23(27)29-3)31-24-10-6-4-8-21(24)22-9-5-7-11-25(22)31/h4-13,15-16H,1-2H3.
What are the key properties of 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile?
4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-yl-2,6-dimethylphenyl)-5-isocyanopyridine-3-carbonitrile is sourced from PubChem (CID 153432833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).