(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile

C18H10N4 — CID 90482300

IUPAC(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile
SMILESN#CC1(C#N)[C@@H]2/C=C\C=C/c3ccccc3[C@@H]2C1(C#N)C#N
InChIInChI=1S/C18H10N4/c19-9-17(10-20)15-8-4-2-6-13-5-1-3-7-14(13)16(15)18(17,11-21)12-22/h1-8,15-16H/b6-2-,8-4-/t15-,16+/m1/s1
InChIKeyRIFRXEUHYHKFPK-BZNYHCDRSA-N
MW282.31 g/mol
LogP3.05
Rot. Bonds

About (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile

(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile (PubChem CID 90482300) has the molecular formula C18H10N4 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile.

Molecular Properties

Compound Name(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile
PubChem CID90482300
Molecular FormulaC18H10N4
Molecular Weight282.31 g/mol
Exact Mass282.09
IUPAC Name(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile
SMILESN#CC1(C#N)[C@@H]2/C=C\C=C/c3ccccc3[C@@H]2C1(C#N)C#N
InChIInChI=1S/C18H10N4/c19-9-17(10-20)15-8-4-2-6-13-5-1-3-7-14(13)16(15)18(17,11-21)12-22/h1-8,15-16H/b6-2-,8-4-/t15-,16+/m1/s1
InChIKeyRIFRXEUHYHKFPK-BZNYHCDRSA-N
XLogP3.05
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

Analyze (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile?
The IUPAC name of (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile (CID 90482300) is (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile.
What is the SMILES notation for (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile?
The canonical SMILES for (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile is N#CC1(C#N)[C@@H]2/C=C\C=C/c3ccccc3[C@@H]2C1(C#N)C#N.
What is the InChIKey of (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile?
The InChIKey is RIFRXEUHYHKFPK-BZNYHCDRSA-N. The full InChI is InChI=1S/C18H10N4/c19-9-17(10-20)15-8-4-2-6-13-5-1-3-7-14(13)16(15)18(17,11-21)12-22/h1-8,15-16H/b6-2-,8-4-/t15-,16+/m1/s1.
What are the key properties of (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile?
(2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile has a molecular weight of 282.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6Z,8Z)-tricyclo[8.4.0.02,5]tetradeca-1(14),6,8,10,12-pentaene-3,3,4,4-tetracarbonitrile is sourced from PubChem (CID 90482300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).