(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide

C26H12N6 — CID 140942890

IUPAC(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide
SMILES[C-]#[N+]c1cc2c(cc1-c1ccncc1)-c1cc(-c3ccncc3)c(C#N)cc1/C2=N/C#N
InChIInChI=1S/C26H12N6/c1-29-25-13-24-22(12-20(25)17-4-8-31-9-5-17)21-11-19(16-2-6-30-7-3-16)18(14-27)10-23(21)26(24)32-15-28/h2-13H/b32-26-
InChIKeyYVSSRSXVIBGCKI-FSRJSHLRSA-N
MW408.42 g/mol
LogP5.53
Rot. Bonds2

About (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide

(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide (PubChem CID 140942890) has the molecular formula C26H12N6 and a molecular weight of 408.42 g/mol. Its IUPAC name is (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide.

Molecular Properties

Compound Name(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide
PubChem CID140942890
Molecular FormulaC26H12N6
Molecular Weight408.42 g/mol
Exact Mass408.11
IUPAC Name(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide
SMILES[C-]#[N+]c1cc2c(cc1-c1ccncc1)-c1cc(-c3ccncc3)c(C#N)cc1/C2=N/C#N
InChIInChI=1S/C26H12N6/c1-29-25-13-24-22(12-20(25)17-4-8-31-9-5-17)21-11-19(16-2-6-30-7-3-16)18(14-27)10-23(21)26(24)32-15-28/h2-13H/b32-26-
InChIKeyYVSSRSXVIBGCKI-FSRJSHLRSA-N
XLogP5.53
TPSA90.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2,7-dicyano-3,6-bis(2,3-dicyanoquinoxalin-6-yl)fluoren-9-ylidene]cyanamide
CID 154028898
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile
CID 140942929
[2-cyano-6-(4-cyanoquinazolin-2-yl)-7-isocyano-3-(4-isocyanoquinazolin-2-yl)fluoren-9-ylidene]cyanamide;[2-cyano-7-isocyano-3,6-di(isoquinolin-1-yl)fluoren-9-ylidene]cyanamide;(2-cyano-7-isocyano-3,6-dinaphthalen-2-ylfluoren-9-ylidene)cyanamide;[2-(2,3-dicyanoquinoxalin-6-yl)-7-(2,3-diisocyanoquinoxalin-6-yl)-6-methyl-3-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-2-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide;[3-methyl-2,7-dipyridin-4-yl-6-(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 157308269
2,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140728568
4-[3-[3-[3-(3-cyano-4-pyridinyl)phenyl]-5-[3-(3-isocyano-4-pyridinyl)phenyl]phenyl]phenyl]pyridine-3-carbonitrile
CID 140769550
4-isocyano-6-pyridin-2-ylbenzene-1,3-dicarbonitrile
CID 168823207
5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-isocyanobenzonitrile
CID 140779438
ethene;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 22605028
potassium;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile;hydroxide
CID 67782045
2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140779404
2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 140846580

Frequently Asked Questions

What is the IUPAC name of (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide?
The IUPAC name of (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide (CID 140942890) is (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide.
What is the SMILES notation for (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide?
The canonical SMILES for (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide is [C-]#[N+]c1cc2c(cc1-c1ccncc1)-c1cc(-c3ccncc3)c(C#N)cc1/C2=N/C#N.
What is the InChIKey of (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide?
The InChIKey is YVSSRSXVIBGCKI-FSRJSHLRSA-N. The full InChI is InChI=1S/C26H12N6/c1-29-25-13-24-22(12-20(25)17-4-8-31-9-5-17)21-11-19(16-2-6-30-7-3-16)18(14-27)10-23(21)26(24)32-15-28/h2-13H/b32-26-.
What are the key properties of (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide?
(2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide has a molecular weight of 408.42 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyano-7-isocyano-3,6-dipyridin-4-ylfluoren-9-ylidene)cyanamide is sourced from PubChem (CID 140942890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).