[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide

C20H10N4-2 — CID 102121873

IUPAC[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide
SMILESN#CC(=C=[N-])C1c2ccccc2-c2ccccc2C1C(=C=[N-])C#N
InChIInChI=1S/C20H10N4/c21-9-13(10-22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)14(11-23)12-24/h1-8,19-20H/q-2
InChIKeyDQFPTWSCNDTTBE-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.91
Rot. Bonds2

About [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide

[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide (PubChem CID 102121873) has the molecular formula C20H10N4-2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide.

Molecular Properties

Compound Name[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide
PubChem CID102121873
Molecular FormulaC20H10N4-2
Molecular Weight306.33 g/mol
Exact Mass306.09
IUPAC Name[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide
SMILESN#CC(=C=[N-])C1c2ccccc2-c2ccccc2C1C(=C=[N-])C#N
InChIInChI=1S/C20H10N4/c21-9-13(10-22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)14(11-23)12-24/h1-8,19-20H/q-2
InChIKeyDQFPTWSCNDTTBE-UHFFFAOYSA-N
XLogP3.91
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide?
The IUPAC name of [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide (CID 102121873) is [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide.
What is the SMILES notation for [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide?
The canonical SMILES for [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide is N#CC(=C=[N-])C1c2ccccc2-c2ccccc2C1C(=C=[N-])C#N.
What is the InChIKey of [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide?
The InChIKey is DQFPTWSCNDTTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N4/c21-9-13(10-22)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(19)14(11-23)12-24/h1-8,19-20H/q-2.
What are the key properties of [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide?
[2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide has a molecular weight of 306.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[10-(2-azanidylidene-1-cyanoethenyl)-9,10-dihydrophenanthren-9-yl]-2-cyanoethenylidene]azanide is sourced from PubChem (CID 102121873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).