tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile

C18H10N2 — CID 102170033

IUPACtricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
SMILESN#Cc1ccc2c(c1)CCc1cc(C#N)ccc1C#C2
InChIInChI=1S/C18H10N2/c19-11-13-1-3-15-5-6-16-4-2-14(12-20)10-18(16)8-7-17(15)9-13/h1-4,9-10H,7-8H2
InChIKeyKHQILWXGBIAFKE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.93
Rot. Bonds

About tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile

tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile (PubChem CID 102170033) has the molecular formula C18H10N2 and a molecular weight of 254.29 g/mol. Its IUPAC name is tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile.

Molecular Properties

Compound Nametricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
PubChem CID102170033
Molecular FormulaC18H10N2
Molecular Weight254.29 g/mol
Exact Mass254.08
IUPAC Nametricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
SMILESN#Cc1ccc2c(c1)CCc1cc(C#N)ccc1C#C2
InChIInChI=1S/C18H10N2/c19-11-13-1-3-15-5-6-16-4-2-14(12-20)10-18(16)8-7-17(15)9-13/h1-4,9-10H,7-8H2
InChIKeyKHQILWXGBIAFKE-UHFFFAOYSA-N
XLogP2.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile?
The IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile (CID 102170033) is tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile.
What is the SMILES notation for tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile?
The canonical SMILES for tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile is N#Cc1ccc2c(c1)CCc1cc(C#N)ccc1C#C2.
What is the InChIKey of tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile?
The InChIKey is KHQILWXGBIAFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2/c19-11-13-1-3-15-5-6-16-4-2-14(12-20)10-18(16)8-7-17(15)9-13/h1-4,9-10H,7-8H2.
What are the key properties of tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile?
tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile is sourced from PubChem (CID 102170033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).