3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine

C21H16N2 — CID 143888831

IUPAC3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine
SMILESC=C(/C=C\C)c1cnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H16N2/c1-3-8-14(2)19-13-22-20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)21(20)23-19/h3-13H,2H2,1H3/b8-3-
InChIKeySNEILAUZLHYHOX-BAQGIRSFSA-N
MW296.37 g/mol
LogP5.53
Rot. Bonds2

About 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine

3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 143888831) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine
PubChem CID143888831
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine
SMILESC=C(/C=C\C)c1cnc2c3ccccc3c3ccccc3c2n1
InChIInChI=1S/C21H16N2/c1-3-8-14(2)19-13-22-20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)21(20)23-19/h3-13H,2H2,1H3/b8-3-
InChIKeySNEILAUZLHYHOX-BAQGIRSFSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline
CID 1318
5-Methylquinoxaline
CID 61670
Benzo(F)Quinoline
CID 6796
DIBENZ(a,h)ACRIDINE
CID 9183
Bathocuproine
CID 65149
1,10-Phenanthroline hydrate
CID 21226
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Dimethyl-1,10-phenanthroline
CID 72792
3,4,7,8-Tetramethyl-1,10-phenanthroline
CID 74265
4-Methyl-1,10-phenanthroline
CID 93149
8-Aminoquinoline
CID 11359

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine (CID 143888831) is 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine is C=C(/C=C\C)c1cnc2c3ccccc3c3ccccc3c2n1.
What is the InChIKey of 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine?
The InChIKey is SNEILAUZLHYHOX-BAQGIRSFSA-N. The full InChI is InChI=1S/C21H16N2/c1-3-8-14(2)19-13-22-20-17-11-6-4-9-15(17)16-10-5-7-12-18(16)21(20)23-19/h3-13H,2H2,1H3/b8-3-.
What are the key properties of 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine?
3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 296.37 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 143888831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).